CAS 1706461-14-4

1-(Phenylmethyl)-1H-1,2,3-triazole-5-acetonitrile

Description:

1-(Phenylmethyl)-1H-1,2,3-triazole-5-acetonitrile is a chemical compound characterized by its unique triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This compound features a phenylmethyl group, contributing to its aromatic properties, and an acetonitrile functional group, which enhances its reactivity and solubility in polar solvents. The presence of the triazole moiety often imparts biological activity, making such compounds of interest in medicinal chemistry and drug development. The compound's molecular structure suggests potential applications in various fields, including pharmaceuticals, agrochemicals, and materials science. Its specific properties, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the environment in which it is studied. Additionally, the compound may exhibit interesting electronic properties due to the conjugation between the aromatic and triazole systems, which could be explored for applications in organic electronics or as a ligand in coordination chemistry.

Formula: C₁₁H₁₀N₄

InChI: InChI=1S/C11H10N4/c12-7-6-11-8-13-14-15(11)9-10-4-2-1-3-5-10/h1-5,8H,6,9H2

InChI key: InChIKey=URDGFELYUBIPRQ-UHFFFAOYSA-N

SMILES: C(N1C(CC#N)=CN=N1)C2=CC=CC=C2

Synonyms:

• 1-(Phenylmethyl)-1H-1,2,3-triazole-5-acetonitrile
• 1H-1,2,3-Triazole-5-acetonitrile, 1-(phenylmethyl)-

2-(1-Benzyl-1H-1,2,3-triazol-5-yl)acetonitrile

CAS: 1706461-14-4

Versatile small molecule scaffold

Formula: C₁₁H₁₀N₄

Purity: Min. 95%

Molecular weight: 198.2 g/mol

Ref: 3D-GTC46114