CAS 1001519-09-0

3-[[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]thio]-5-methyl-4H-1,2,4-triazol-4-amine

Description:

3-[[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]thio]-5-methyl-4H-1,2,4-triazol-4-amine is a chemical compound characterized by its complex structure, which includes a triazole ring and a pyrazole moiety. The presence of a nitro group and multiple methyl substituents contributes to its unique chemical properties and potential biological activity. This compound is likely to exhibit moderate to high solubility in organic solvents due to its polar functional groups, while its stability may be influenced by the presence of the nitro group, which can be sensitive to reduction reactions. The thioether linkage in the structure may enhance its reactivity and interaction with biological targets, making it of interest in pharmaceutical research. Additionally, the compound's molecular configuration suggests potential applications in agrochemicals or as a lead compound in drug discovery, particularly in areas targeting specific enzymatic pathways or receptor interactions. Overall, its intricate structure and functional groups provide a foundation for further exploration in various chemical and biological contexts.

Formula: C₉H₁₃N₇O₂S

InChI: InChI=1S/C9H13N7O2S/c1-5-8(16(17)18)6(2)14(13-5)4-19-9-12-11-7(3)15(9)10/h4,10H2,1-3H3

InChI key: InChIKey=GJGYWVAZJJORBE-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(C)N(CSC=2N(N)C(C)=NN2)N=C1C

Synonyms:

• 3-[[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]thio]-5-methyl-4H-1,2,4-triazol-4-amine
• 4H-1,2,4-Triazol-4-amine, 3-[[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]thio]-5-methyl-