1-Methyl-1H-1,2,3-triazole-5-carboxylic acid

• CAT Number: L038431
• CAS Number: 716361-91-0
• Molecular Formula: C4H5N3O2
• Molecular Weight: 127.11
• Purity: ≥95%
• IUPAC Name: 3-methyltriazole-4-carboxylic acid
• InChI: InChI=1S/C4H5N3O2/c1-7-3(4(8)9)2-5-6-7/h2H,1H3,(H,8,9)
• InChIKey: LQNKEDJEXCZEBP-UHFFFAOYSA-N
• SMILES: CN1C(=CN=N1)C(=O)O

1-Methyl-1H-1,2,3-triazole-5-carboxylic acid(CAT: L038431) is a heterocyclic compound featuring a 1,2,3-triazole ring substituted with a methyl group at the N1 position and a carboxylic acid at the 5-position. This molecule is highly valued in medicinal and materials chemistry due to the stability and bioisosteric properties of the triazole ring. It serves as a key intermediate in the synthesis of drug-like molecules, especially in peptidomimetic and kinase inhibitor development. The carboxylic acid functionality enables coupling with amines, alcohols, or other building blocks, while the triazole offers hydrogen bonding and π-stacking interactions, making it ideal for structure–activity relationship (SAR) studies.