CAS 1033463-40-9

5-Methyl-1-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid

Description:

5-Methyl-1-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of a methyl group and a 4-methylphenyl group enhances its hydrophobic characteristics, which may influence its solubility and interaction with biological systems. The triazole moiety is known for its applications in pharmaceuticals, particularly as a scaffold in drug design due to its ability to form hydrogen bonds and participate in various chemical reactions. The compound's structure suggests potential applications in medicinal chemistry, possibly as an antimicrobial or antifungal agent, although specific biological activities would require further investigation. Overall, the unique combination of functional groups and the triazole framework make this compound of interest in both synthetic and medicinal chemistry contexts.

Formula: C₁₂H₁₃N₃O₂

InChI: InChI=1S/C12H13N3O2/c1-8-3-5-10(6-4-8)7-15-9(2)11(12(16)17)13-14-15/h3-6H,7H2,1-2H3,(H,16,17)

InChI key: InChIKey=FIXFBBYSBPUJRC-UHFFFAOYSA-N

SMILES: C(N1C(C)=C(C(O)=O)N=N1)C2=CC=C(C)C=C2

Synonyms:

• 5-Methyl-1-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
• 1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-[(4-methylphenyl)methyl]-
• 5-Methyl-1-((4-methylphenyl)methyl)-1H-1,2,3-triazole-4-carboxylic acid