CAS 838843-11-1

3-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid

Description:

3-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid is a chemical compound characterized by its unique structure, which includes a triazole ring, a pyridine moiety, and a propanoic acid functional group. The presence of the triazole ring contributes to its potential biological activity, as triazoles are known for their role in various pharmacological applications, including antifungal and anticancer properties. The sulfanyl group enhances the compound's reactivity and may influence its interactions with biological targets. This compound is likely to exhibit moderate solubility in polar solvents due to the presence of the carboxylic acid group, while the aromatic rings may contribute to hydrophobic interactions. Its molecular structure suggests potential for diverse applications in medicinal chemistry, particularly in the development of novel therapeutic agents. As with many compounds containing heterocycles, it may also exhibit interesting electronic properties, making it a candidate for further research in drug design and development.

Formula: C₁₁H₁₂N₄O₂S

InChI: InChI=1/C11H12N4O2S/c1-15-10(8-2-5-12-6-3-8)13-14-11(15)18-7-4-9(16)17/h2-3,5-6H,4,7H2,1H3,(H,16,17)

SMILES: Cn1c(c2ccncc2)nnc1SCCC(=O)O

Synonyms:

• Propanoic acid, 3-[[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-
• 3-{[4-Methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid