CAS 924861-83-6

4-(4H-1,2,4-Triazol-4-yl)benzenepropanoic acid

Description:

4-(4H-1,2,4-Triazol-4-yl)benzenepropanoic acid, with the CAS number 924861-83-6, is a chemical compound characterized by its unique structure that combines a triazole ring with a benzene and a propanoic acid moiety. This compound typically exhibits properties such as solubility in polar solvents, which is influenced by the presence of the carboxylic acid group. The triazole ring contributes to its potential biological activity, often associated with antifungal and antimicrobial properties. The compound may also engage in hydrogen bonding due to the carboxylic acid functional group, enhancing its reactivity and interaction with other molecules. Its structural features suggest potential applications in pharmaceuticals, particularly in drug design and development, where the triazole moiety is known for its role in various therapeutic agents. Additionally, the compound's stability and reactivity can be influenced by environmental factors such as pH and temperature, making it a subject of interest in both synthetic and medicinal chemistry.

Formula: C₁₁H₁₁N₃O₂

InChI: InChI=1S/C11H11N3O2/c15-11(16)6-3-9-1-4-10(5-2-9)14-7-12-13-8-14/h1-2,4-5,7-8H,3,6H2,(H,15,16)

InChI key: InChIKey=OYKWSABIJJQOFT-UHFFFAOYSA-N

SMILES: C(CC(O)=O)C1=CC=C(C=C1)N2C=NN=C2

Synonyms:

• Benzenepropanoic acid, 4-(4H-1,2,4-triazol-4-yl)-
• 4-(4H-1,2,4-Triazol-4-yl)benzenepropanoic acid