CAS 851879-25-9

1-[[4,5-Dihydro-4-(2-pyridinyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-pyrrolidinone

Description:

1-[[4,5-Dihydro-4-(2-pyridinyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-pyrrolidinone, with the CAS number 851879-25-9, is a chemical compound characterized by its complex structure, which includes a pyrrolidinone ring and a triazole moiety. This compound features a thioxo group, contributing to its potential reactivity and biological activity. The presence of the pyridine and triazole rings suggests that it may exhibit diverse pharmacological properties, possibly acting as a ligand or inhibitor in various biochemical pathways. Its molecular structure indicates potential solubility in organic solvents, and it may exhibit moderate stability under standard laboratory conditions. The compound's unique arrangement of functional groups could make it of interest in medicinal chemistry, particularly in the development of new therapeutic agents. However, specific properties such as melting point, boiling point, and solubility would require empirical determination or literature reference for precise characterization.

Formula: C₁₂H₁₃N₅OS

InChI: InChI=1S/C12H13N5OS/c18-11-5-3-7-16(11)8-10-14-15-12(19)17(10)9-4-1-2-6-13-9/h1-2,4,6H,3,5,7-8H2,(H,15,19)

InChI key: InChIKey=DUBSWAMSQURHQL-UHFFFAOYSA-N

SMILES: C(C=1N(C(=S)NN1)C2=CC=CC=N2)N3C(=O)CCC3

Synonyms:

• 2-Pyrrolidinone, 1-[[4,5-dihydro-4-(2-pyridinyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-
• 1-[[4,5-Dihydro-4-(2-pyridinyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-pyrrolidinone