CAS 860612-21-1

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

Description:

4,5-Dihydro-5-oxo-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-1-acetic acid is a chemical compound characterized by its triazole ring structure, which contributes to its biological activity. This compound features a trifluoromethoxy group, enhancing its lipophilicity and potentially influencing its pharmacokinetic properties. The presence of the acetic acid moiety suggests it may exhibit acidic behavior, which can affect solubility and reactivity. The compound's structure indicates it may interact with biological targets, making it of interest in medicinal chemistry, particularly in the development of pharmaceuticals. Its unique combination of functional groups may impart specific properties such as stability, reactivity, and selectivity in biological systems. Additionally, the trifluoromethoxy group is known for its ability to modulate electronic properties, which can be crucial in drug design. Overall, this compound's characteristics make it a subject of interest for further research in various chemical and biological applications.

Formula: C₁₁H₈F₃N₃O₄

InChI: InChI=1S/C11H8F3N3O4/c12-11(13,14)21-8-3-1-7(2-4-8)16-6-15-17(10(16)20)5-9(18)19/h1-4,6H,5H2,(H,18,19)

InChI key: InChIKey=DJUYWACTVDKDBU-UHFFFAOYSA-N

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

Synonyms:

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