CAS 89975-58-6

1,7-Dihydro-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

Description:

1,7-Dihydro-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is a heterocyclic compound characterized by its unique triazole and pyrimidine ring structures. This compound features a 1,2,4-triazole fused to a pyrimidine, which contributes to its potential biological activity. The presence of a carbonitrile group enhances its reactivity and may influence its solubility and interaction with biological targets. The methyl and carbonyl substituents on the triazole and pyrimidine rings can affect the compound's electronic properties and steric hindrance, potentially impacting its pharmacological profile. This compound is of interest in medicinal chemistry due to its structural features, which may confer specific biological activities, including antimicrobial or anticancer properties. Its synthesis and characterization typically involve standard organic chemistry techniques, and it may be evaluated for its efficacy in various biological assays. As with many heterocycles, the stability and reactivity of this compound can be influenced by environmental factors such as pH and temperature.

Formula: C₇H₅N₅O

InChI: InChI=1S/C7H5N5O/c1-4-5(2-8)6(13)12-7(11-4)9-3-10-12/h3H,1H3,(H,9,10,11)

InChI key: InChIKey=YJSQJTOIXRQEJZ-UHFFFAOYSA-N

SMILES: O=C1N2C(=NC(C)=C1C#N)NC=N2

Synonyms:

• [1,2,4]Triazolo[1,5-a]pyrimidine-6-carbonitrile, 1,7-dihydro-5-methyl-7-oxo-
• s-Triazolo[1,5-a]pyrimidine-6-carbonitrile, 4,7-dihydro-5-methyl-7-oxo-
• 1,7-Dihydro-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile