Cas no 123372-69-0 (1H-1,2,4-Triazole-3-methanol)

1H-1,2,4-Triazole-3-methanol is a heterocyclic organic compound featuring a triazole core substituted with a hydroxymethyl group at the 3-position. This structure imparts versatility in synthetic applications, particularly as a building block for pharmaceuticals, agrochemicals, and coordination chemistry. Its reactive hydroxyl and triazole functionalities enable derivatization, facilitating the development of biologically active molecules or metal-chelating ligands. The compound’s stability under standard conditions and compatibility with common organic solvents enhance its utility in multistep syntheses. Its well-defined reactivity profile makes it a valuable intermediate for researchers designing novel triazole-based compounds with tailored properties.
1H-1,2,4-Triazole-3-methanol structure
1H-1,2,4-Triazole-3-methanol structure
Product Name:1H-1,2,4-Triazole-3-methanol
CAS No:123372-69-0
MF:C3H5N3O
MW:99.0912997722626
MDL:MFCD09878856
CID:1090375
PubChem ID:424449
Update Time:2025-10-13

1H-1,2,4-Triazole-3-methanol Chemical and Physical Properties

Names and Identifiers

    • (1H-1,2,4-Triazol-5-yl)methanol
    • 1H-?1,?2,?4-?Triazole-?5-?methanol
    • 1H-1,2,4-Triazol-5-ylmethanol
    • 1H-1,2,4-Triazole-3-methanol
    • (1H-1,2,4-triazol-3-yl)Methanol
    • (4H-1,2,4-TRIAZOL-3-YL)METHANOL
    • (1H-[1,2,4]Triazol-3-yl)-methanol
    • ALBB-030496
    • 123372-69-0
    • A890785
    • DA-29372
    • Z2574360328
    • DTXSID00329849
    • 1H-1,2,4-Triazole-3-methanol (9CI); (4H-1,2,4-Triazol-3-yl)methanol; (4H-[1,2,4]Triazol-3-yl)-methanol; 1H-1,2,4-Triazol-3-ylmethanol; 1H-1,2,4-Triazol-5-ylmethanol; NSC 165531
    • EN300-225757
    • MFCD09878856
    • 1H-1,2,4-Triazole-5-methanol
    • UDDMDSNULOKCLP-UHFFFAOYSA-N
    • AKOS016344412
    • 1h-1,2,4-triazol-3-ylmethanol
    • AKOS013464898
    • CS-B1071
    • AKOS015966646
    • SB32079
    • 3-hydroxymethyl-1 H- 1, 2,4-triazole
    • MDL: MFCD09878856
    • Inchi: 1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)
    • InChI Key: UDDMDSNULOKCLP-UHFFFAOYSA-N
    • SMILES: OCC1=NC=NN1

Computed Properties

  • Exact Mass: 99.043261792g/mol
  • Monoisotopic Mass: 99.043261792g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 58.1
  • 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: -0.9
  • Topological Polar Surface Area: 61.8?2

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Additional information on 1H-1,2,4-Triazole-3-methanol

Comprehensive Analysis of 1H-1,2,4-Triazole-3-methanol (CAS No. 123372-69-0): Properties, Applications, and Innovations

1H-1,2,4-Triazole-3-methanol (CAS No. 123372-69-0) is a heterocyclic compound featuring a triazole core with a hydroxymethyl substituent. This structurally unique molecule has garnered significant attention in pharmaceutical, agrochemical, and material science research due to its versatile reactivity and functional group compatibility. The 1,2,4-triazole scaffold is renowned for its bioisosteric properties, often serving as a surrogate for carboxylic acids or amides in drug design, while the methanol moiety enhances solubility and derivatization potential.

Recent advancements in triazole-based chemistry have highlighted the role of 1H-1,2,4-Triazole-3-methanol in developing kinase inhibitors and antimicrobial agents. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its utility as a building block for anticancer drug candidates, particularly in targeting protein-protein interactions. The compound’s ability to form hydrogen bonds and participate in π-stacking interactions makes it invaluable for rational drug design, aligning with the growing demand for small-molecule therapeutics in precision medicine.

In agrochemical applications, derivatives of 1H-1,2,4-Triazole-3-methanol have shown promise as plant growth regulators and fungicides. Its mode of action often involves interference with ergosterol biosynthesis, a pathway critical to fungal cell membrane integrity. With the global push toward sustainable agriculture, researchers are exploring eco-friendly formulations incorporating this scaffold to reduce environmental persistence while maintaining efficacy—a topic frequently searched in green chemistry forums.

The synthesis of 123372-69-0 typically involves cyclization of hydrazine derivatives with carboxylic acid equivalents, followed by hydroxymethylation. Recent innovations include catalytic methods using biodegradable reagents, addressing the pharmaceutical industry’s emphasis on green synthesis. Analytical characterization via NMR, HPLC, and mass spectrometry confirms its high purity (>98%), a critical parameter for regulatory compliance in Good Manufacturing Practice (GMP) settings.

Beyond life sciences, 1H-1,2,4-Triazole-3-methanol is emerging in advanced materials. Its incorporation into polymers enhances thermal stability and dielectric properties, relevant for flexible electronics—a trending topic in materials science. Researchers are also investigating its use in metal-organic frameworks (MOFs) for gas storage, leveraging the triazole ring’s coordination sites.

From a commercial perspective, the demand for CAS 123372-69-0 is rising, with suppliers highlighting its availability in gram-to-kilogram quantities for R&D and scale-up projects. Quality control protocols emphasize residual solvent analysis and genotoxic impurity screening, reflecting stringent industry standards. FAQs in procurement platforms often address its storage conditions (recommended: 2–8°C under inert atmosphere) and shelf life (typically 24 months when properly sealed).

In conclusion, 1H-1,2,4-Triazole-3-methanol exemplifies the convergence of multidisciplinary chemistry, bridging gaps between drug discovery, sustainable agriculture, and cutting-edge materials. Its adaptability to structure-activity relationship (SAR) studies ensures continued relevance in solving modern scientific challenges, from drug-resistant pathogens to energy-efficient technologies.

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