CAS 925580-03-6

Methyl 1-[[(4-amino-4H-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrazole-3-carboxylate

Description:

Methyl 1-[[(4-amino-4H-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrazole-3-carboxylate is a chemical compound characterized by its complex structure, which includes a pyrazole ring and a triazole moiety. This compound features a methyl ester functional group, contributing to its solubility and reactivity. The presence of the amino group on the triazole ring suggests potential for hydrogen bonding and reactivity in biological systems, making it of interest in pharmaceutical applications. The thioether linkage enhances its stability and may influence its biological activity. Generally, compounds of this nature are investigated for their potential as agrochemicals or pharmaceuticals, particularly in the development of new drugs targeting specific biological pathways. Its molecular interactions, solubility, and stability under various conditions are critical for determining its practical applications. As with many synthetic compounds, safety and handling precautions are essential due to potential toxicity or reactivity.

Formula: C₈H₁₀N₆O₂S

InChI: InChI=1S/C8H10N6O2S/c1-16-7(15)6-2-3-13(12-6)5-17-8-11-10-4-14(8)9/h2-4H,5,9H2,1H3

InChI key: InChIKey=PGHXAGDUDQAEPA-UHFFFAOYSA-N

SMILES: C(SC=1N(N)C=NN1)N2N=C(C(OC)=O)C=C2

Synonyms:

• 1H-Pyrazole-3-carboxylic acid, 1-[[(4-amino-4H-1,2,4-triazol-3-yl)thio]methyl]-, methyl ester
• Methyl 1-[[(4-amino-4H-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrazole-3-carboxylate