Cas no 89166-02-9 (4-methyl-1H-1,2,3-triazole-5-carboxylic acid)

4-Methyl-1H-1,2,3-triazole-5-carboxylic acid is a heterocyclic compound featuring a triazole ring substituted with a methyl group at the 4-position and a carboxylic acid moiety at the 5-position. This structure imparts versatility in synthetic applications, particularly as a building block in medicinal chemistry and agrochemical research. The carboxylic acid group enables further functionalization through amidation, esterification, or other derivatization reactions, while the triazole core contributes to its stability and potential bioactivity. Its well-defined reactivity profile makes it valuable for designing ligands, inhibitors, or intermediates in organic synthesis. The compound is typically characterized by NMR and HPLC for purity verification, ensuring reliability in research and industrial applications.
4-methyl-1H-1,2,3-triazole-5-carboxylic acid structure
89166-02-9 structure
Product Name:4-methyl-1H-1,2,3-triazole-5-carboxylic acid
CAS No:89166-02-9
MF:C4H5N3O2
MW:127.101400136948
CID:711171
PubChem ID:4436040
Update Time:2025-10-19

4-methyl-1H-1,2,3-triazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Methyl-1H-1,2,3-triazole-4-carboxylic acid
    • 1H-1,2,3-Triazole-5-carboxylicacid, 4-methyl-
    • 4-methyl-1H-1,2,3-Triazole-5-carboxylic acid
    • 5-methyl-1H-[1,2,3]triazole-4-carboxylic acid
    • 5-Methyl-2H-[1,2,3]triazole-4-carboxylic acid
    • 5-Methyl-1H-1,2,3-triazole-4-carboxylicacid
    • 5-methyl-2H-triazole-4-carboxylic acid
    • KUC106908N
    • KSC-20-054
    • AKOS011332753
    • 2H-[1,2,3]Triazole-4-carboxylic acid, 5-methyl-
    • A861297
    • 832737-27-6
    • AKOS022474411
    • SCHEMBL1930145
    • VS-09719
    • AB76464
    • F8881-5016
    • MFCD04968763
    • CS-0147322
    • CS-0368409
    • 89166-02-9
    • 5-methyl-2 h-[1,2,3]triazole-4-carboxylic acid
    • AKOS000307614
    • SCHEMBL10063339
    • Z931395754
    • FT-0754713
    • 4-carboxy-5-methyl-1,2,3-triazole
    • EN300-83691
    • 5-Methyl-2H-[1,2,3]triazole-4-carboxylic acid, AldrichCPR
    • 5-methyl-2H-1,2,3-triazole-4-carboxylic acid
    • DTXSID301003248
    • ALBB-028474
    • BBL030286
    • MFCD00227384
    • DA-39169
    • G19292
    • 1H-1,2,3-triazole-4-carboxylic acid, 5-methyl-
    • STK349453
    • DB-340936
    • 4-methyl-1H-1,2,3-triazole-5-carboxylic acid
    • Inchi： 1S/C4H5N3O2/c1-2-3(4(8)9)6-7-5-2/h1H3,(H,8,9)(H,5,6,7)
    • InChI Key： VCFOEWURSYAGKP-UHFFFAOYSA-N
    • SMILES： OC(C1C(C)=NNN=1)=O

Computed Properties

  • Exact Mass: 127.038176411g/mol
  • Monoisotopic Mass: 127.038176411g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 127
  • 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
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: -0.1
  • Topological Polar Surface Area: 78.9?2

4-methyl-1H-1,2,3-triazole-5-carboxylic acid Pricemore >>

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