Cas no 212248-62-9 (1-(4-Hydrazinylbenzyl)-1H-1,2,4-triazole)

1-(4-Hydrazinylbenzyl)-1H-1,2,4-triazole is a heterocyclic compound featuring both a 1,2,4-triazole ring and a hydrazinylbenzyl substituent. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for the development of pharmaceuticals and agrochemicals. The hydrazine moiety offers nucleophilic character, enabling condensation reactions with carbonyl compounds to form hydrazones, while the triazole ring contributes to metal coordination and hydrogen bonding capabilities. Its dual functional groups enhance versatility in constructing complex molecular frameworks. The compound is typically handled under controlled conditions due to its hydrazine-based instability. Suitable for research applications, it serves as a precursor in medicinal chemistry for designing biologically active molecules.
1-(4-Hydrazinylbenzyl)-1H-1,2,4-triazole structure
212248-62-9 structure
Product Name:1-(4-Hydrazinylbenzyl)-1H-1,2,4-triazole
CAS No:212248-62-9
MF:C9H11N5
MW:189.217140436172
MDL:MFCD15200703
CID:66860
PubChem ID:253660847
Update Time:2025-11-01

1-(4-Hydrazinylbenzyl)-1H-1,2,4-triazole Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Hydrazinylbenzyl)-1H-1,2,4-triazole
    • 1-(4-Hydrazinobenzyl)-1H-1,2,4-triazole Dihydrochloride
    • 1-(4-HYDRAZINOPHENYL)METHYL-1,2,4-TRIAZOLE
    • 1-[(4-hydrazinylphenyl)methyl]-1H-1,2,4-Triazole dihydrochloride
    • 1H-1-[(4-Aminophenyl)Methyl]-[1,2,4]-Triazole dihydrochloride
    • 4-(1H-1,2,4-triazole-1-yl methyl ) phenyl hydrazine dihydrochloride
    • 4-[(1,2,4-Triazol-1-yl)methyl]phenylhydrazine Dihydrochloride
    • 4-[1H-1,2,4-Triazole-1-YlMethyl]PhenylHydrazineHcl
    • 4-1H-1,2,4-TRIAZOL-1-YLMETHYL]PHENYLHYDRAZINE DIHYDROCHLORIDE
    • 1H-1,2,4-Triazole,1-[(4-hydrazinophenyl)methyl]-, dihydrochloride (9CI)
    • 1-[(4-Hydrazinylphenyl)methyl]-1H-1,2,4-triazole
    • [4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine
    • 1H-1,2,4-Triazole,1-[(4-hydrazinylphenyl)methyl]-
    • 1-(4-hydrazinobenzyl)-1H-1,2,4-triazole
    • (4-[1,2,4]Triazol-1-ylmethyl-phenyl)-hydrazine
    • FUJKUTJPEGEMHG-UHFFFAOYSA-N
    • FCH853
    • 1H-1,2,4-Triazole, 1-[(4-hydrazinylphenyl)methyl]-
    • 1H-1,2,4-Triazole, 1-((4-hydrazinylphenyl)methyl)-
    • 4-(1,2,4-triazol-1-ylmethyl)phenyl hydrazine
    • 335U9MFY9M
    • SCHEMBL4555632
    • 144035-22-3
    • FT-0669259
    • 1-((4-Hydrazinylphenyl)methyl)-1H-1,2,4-triazole
    • 4-(1,2,4-triazol-1-ylmethyl)phenylhydrazine
    • 1-[(4-Hydrazinophenyl)methyl]-1,2,4-Triazole
    • D91037
    • FT-0719996
    • UNII-335U9MFY9M
    • AR-011/42531524
    • AC-3465
    • 1H-1,2,4-Triazole, 1-[(4-hydrazinophenyl)methyl]-
    • 1H-1,2,4-Triazole, 1-[(4-hydrazinophenyl)methyl]-, dihydrochloride
    • AKOS006292887
    • (1H-1-[(4-Hydrazinophenyl)-methyl]-1,2,4-triazole dihydrochloride
    • J-007904
    • 212248-62-9
    • DB-328579
    • DB-066454
    • DB-063512
    • MDL: MFCD15200703
    • Inchi: 1S/C9H11N5/c10-13-9-3-1-8(2-4-9)5-14-7-11-6-12-14/h1-4,6-7,13H,5,10H2
    • InChI Key: FUJKUTJPEGEMHG-UHFFFAOYSA-N
    • SMILES: N1(C=NC=N1)CC1C=CC(=CC=1)NN

Computed Properties

  • Exact Mass: 189.10100
  • Monoisotopic Mass: 189.101
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 167
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 68.8

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 443.7±55.0 °C at 760 mmHg
  • Flash Point: 222.1±31.5 °C
  • Refractive Index: 1.683
  • PSA: 68.76000
  • LogP: 1.63460
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

1-(4-Hydrazinylbenzyl)-1H-1,2,4-triazole Security Information

1-(4-Hydrazinylbenzyl)-1H-1,2,4-triazole Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 1-(4-Hydrazinylbenzyl)-1H-1,2,4-triazole

Professional Introduction to Compound with CAS No. 212248-62-9 and Product Name: 1-(4-Hydrazinylbenzyl)-1H-1,2,4-triazole

The compound with the CAS number 212248-62-9 and the product name 1-(4-Hydrazinylbenzyl)-1H-1,2,4-triazole represents a significant advancement in the field of chemical and pharmaceutical research. This heterocyclic compound has garnered considerable attention due to its unique structural properties and potential applications in medicinal chemistry. The presence of a triazole ring fused with a benzyl group substituted by a hydrazinyl moiety makes it a versatile scaffold for drug design and development.

Recent studies have highlighted the importance of triazole derivatives in the development of novel therapeutic agents. The 1,2,4-triazole core is known for its stability and ability to form hydrogen bonds, which enhances its binding affinity to biological targets. In particular, the 4-hydrazinylbenzyl substituent introduces reactivity that can be exploited for further functionalization, making it an attractive candidate for synthesizing more complex molecules.

The benzyl group in the compound's structure contributes to its solubility and bioavailability, which are critical factors in pharmaceutical formulations. This feature allows for easier administration and absorption in vivo, potentially improving the efficacy of drugs derived from this compound. Additionally, the hydrazinyl group can participate in various chemical reactions, such as condensation or cyclization, providing a platform for diverse synthetic pathways.

In the realm of medicinal chemistry, the exploration of hydrazine-based compounds has been extensively studied due to their pharmacological properties. The hydrazinyl moiety is particularly interesting because it can interact with biological systems in multiple ways, including enzyme inhibition and receptor binding. This versatility makes it a valuable component in the design of drugs targeting various diseases.

Current research indicates that derivatives of 1-(4-Hydrazinylbenzyl)-1H-1,2,4-triazole show promise in addressing inflammatory and infectious diseases. The triazole ring's ability to modulate immune responses has been observed in several preclinical studies, suggesting its potential as an anti-inflammatory agent. Furthermore, the compound's structure suggests it may have antimicrobial properties, which could be exploited in the fight against drug-resistant pathogens.

The synthesis of this compound involves a multi-step process that requires precise control over reaction conditions to ensure high yield and purity. Advanced synthetic techniques, such as palladium-catalyzed cross-coupling reactions, have been employed to construct the triazole ring efficiently. These methods not only enhance the yield but also minimize byproduct formation, ensuring a cleaner reaction profile.

From a computational chemistry perspective, molecular modeling studies have been conducted to understand the interactions between 1-(4-Hydrazinylbenzyl)-1H-1,2,4-triazole and biological targets. These studies have provided insights into how the compound binds to receptors and enzymes at an atomic level. This information is crucial for optimizing drug design and improving therapeutic outcomes.

The pharmacokinetic properties of this compound are also under investigation. Studies have focused on its absorption, distribution, metabolism, and excretion (ADME) profiles to assess its suitability for clinical use. Preliminary data suggest that the compound exhibits favorable pharmacokinetic characteristics, including reasonable bioavailability and moderate metabolic clearance rates.

In conclusion,1-(4-Hydrazinylbenzyl)-1H-1,2,4-triazole (CAS No. 212248-62-9) represents a promising candidate for further development in pharmaceutical applications. Its unique structural features and potential biological activities make it an attractive scaffold for drug discovery efforts. Continued research into this compound will likely uncover new therapeutic opportunities across multiple disease areas.

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