CAS 1020252-67-8

α-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]-2H-tetrazole-5-acetonitrile

Description:

α-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]-2H-tetrazole-5-acetonitrile, identified by its CAS number 1020252-67-8, is a chemical compound characterized by its complex structure, which includes a tetrazole ring and a trifluoromethoxy-substituted phenyl group. This compound typically exhibits properties associated with both heterocycles and aromatic systems, contributing to its potential reactivity and stability. The presence of the trifluoromethoxy group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The tetrazole moiety is known for its ability to form hydrogen bonds and participate in coordination chemistry, which can be significant in drug design and development. Additionally, the acetonitrile functional group may impart polar characteristics, affecting solubility and interaction with biological targets. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents.

Formula: C₁₁H₇F₃N₆O

InChI: InChI=1S/C11H7F3N6O/c12-11(13,14)21-9-3-1-8(2-4-9)16-6-7(5-15)10-17-19-20-18-10/h1-4,6,16H,(H,17,18,19,20)

InChI key: InChIKey=PLMJLXBJYGSAJT-UHFFFAOYSA-N

SMILES: C(=CNC1=CC=C(OC(F)(F)F)C=C1)(C#N)C=2NN=NN2

Synonyms:

• 2H-Tetrazole-5-acetonitrile, α-[[[4-(trifluoromethoxy)phenyl]amino]methylene]-
• α-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]-2H-tetrazole-5-acetonitrile