CAS 1095825-31-2

3-(2,2,2-Trifluoroethyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine-7-carboxylic acid

Description:

3-(2,2,2-Trifluoroethyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine-7-carboxylic acid is a chemical compound characterized by its unique triazole and pyrimidine ring structures, which contribute to its potential biological activity. The presence of the trifluoroethyl group enhances its lipophilicity and may influence its interaction with biological targets. This compound typically exhibits properties such as moderate solubility in organic solvents and potential stability under various conditions, although specific stability data would depend on environmental factors. Its carboxylic acid functional group suggests acidic behavior, which may play a role in its reactivity and interaction with other molecules. The compound's structure indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of heterocyclic rings that are often associated with bioactive compounds. Overall, while specific physical and chemical properties such as melting point, boiling point, and spectral data would require empirical measurement, the structural features suggest a compound of interest in chemical and biological research.

Formula: C₇H₄F₃N₅O₂

InChI: InChI=1S/C7H4F3N5O2/c8-7(9,10)1-15-5-3(13-14-15)4(6(16)17)11-2-12-5/h2H,1H2,(H,16,17)

InChI key: InChIKey=IGPUXAIUCRQULK-UHFFFAOYSA-N

SMILES: C(C(F)(F)F)N1C=2C(=C(C(O)=O)N=CN2)N=N1

Synonyms:

• 3H-1,2,3-Triazolo[4,5-d]pyrimidine-7-carboxylic acid, 3-(2,2,2-trifluoroethyl)-
• 3-(2,2,2-Trifluoroethyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine-7-carboxylic acid