CAS 1142927-03-4

1-Methyl-1H-1,2,3-triazole-5-carbonitrile

Description:

1-Methyl-1H-1,2,3-triazole-5-carbonitrile is a heterocyclic organic compound characterized by its triazole ring, which contains three nitrogen atoms and two carbon atoms in a five-membered ring structure. The presence of a methyl group at the 1-position and a cyano group at the 5-position contributes to its unique chemical properties. This compound is typically a white to off-white solid and is soluble in polar organic solvents. It exhibits potential biological activity, making it of interest in pharmaceutical research, particularly in the development of antifungal and antimicrobial agents. The triazole moiety is known for its ability to form hydrogen bonds, which can enhance its interactions with biological targets. Additionally, the compound may participate in various chemical reactions, including nucleophilic substitutions and cycloadditions, due to the reactivity of the cyano group. Overall, 1-Methyl-1H-1,2,3-triazole-5-carbonitrile is a versatile compound with applications in medicinal chemistry and materials science.

Formula: C₄H₄N₄

InChI: InChI=1S/C4H4N4/c1-8-4(2-5)3-6-7-8/h3H,1H3

InChI key: InChIKey=JMSGEQXROIQYKA-UHFFFAOYSA-N

SMILES: C(#N)C=1N(C)N=NC1

Synonyms:

• 1-Methyl-1H-1,2,3-triazole-5-carbonitrile
• 1H-1,2,3-Triazole-5-carbonitrile, 1-methyl-