CAS 866149-37-3

4,5-Dihydro-4-(4-methylphenyl)-5-oxo-1H-1,2,4-triazole-1-acetonitrile

Description:

4,5-Dihydro-4-(4-methylphenyl)-5-oxo-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 4-methylphenyl group, contributing to its aromatic properties and potentially influencing its reactivity and solubility. The presence of the acetonitrile functional group suggests that it may exhibit polar characteristics, enhancing its solubility in polar solvents. The compound is likely to be of interest in pharmaceutical or agrochemical research due to its unique structural features, which may impart specific biological activities or interactions. Its molecular structure indicates potential for various applications, including as a building block in organic synthesis or as a lead compound in drug development. Safety and handling precautions should be observed, as with any chemical substance, due to potential toxicity or reactivity. Further studies would be necessary to fully elucidate its properties, including stability, reactivity, and biological effects.

Formula: C₁₁H₁₀N₄O

InChI: InChI=1S/C11H10N4O/c1-9-2-4-10(5-3-9)14-8-13-15(7-6-12)11(14)16/h2-5,8H,7H2,1H3

InChI key: InChIKey=CHJUZSQNDVNZHJ-UHFFFAOYSA-N

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

Synonyms:

• 1H-1,2,4-Triazole-1-acetonitrile, 4,5-dihydro-4-(4-methylphenyl)-5-oxo-
• 4,5-Dihydro-4-(4-methylphenyl)-5-oxo-1H-1,2,4-triazole-1-acetonitrile

2-[4-(4-Methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile

CAS: 866149-37-3

2-[4-(4-Methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile

Purity: tech

Molecular weight: 214.22g/mol

Ref: 54-OR33425