CAS 866149-42-0

4,5-Dihydro-5-oxo-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-1-acetonitrile

Description:

4,5-Dihydro-5-oxo-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-1-acetonitrile is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a trifluoromethoxy group, contributing to its unique chemical properties, including increased lipophilicity and potential biological activity. The presence of the acetonitrile group suggests that it may exhibit polar characteristics, influencing its solubility in various solvents. The compound's structure indicates potential applications in pharmaceuticals, particularly in the development of antifungal or antimicrobial agents, due to the triazole moiety's known efficacy in these areas. Additionally, the trifluoromethoxy group may enhance the compound's stability and reactivity. Overall, this compound's unique combination of functional groups and structural features makes it a subject of interest in medicinal chemistry and material science.

Formula: C₁₁H₇F₃N₄O₂

InChI: InChI=1S/C11H7F3N4O2/c12-11(13,14)20-9-3-1-8(2-4-9)17-7-16-18(6-5-15)10(17)19/h1-4,7H,6H2

InChI key: InChIKey=OROVMYPMKIWUGA-UHFFFAOYSA-N

SMILES: O=C1N(C=NN1CC#N)C2=CC=C(OC(F)(F)F)C=C2

Synonyms:

• 1H-1,2,4-Triazole-1-acetonitrile, 4,5-dihydro-5-oxo-4-[4-(trifluoromethoxy)phenyl]-
• 4,5-Dihydro-5-oxo-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-1-acetonitrile