CAS 1240528-61-3

4H-1,2,4-Triazole-3-acetic acid, 4-methyl-5-phenyl-, sodium salt (1:1)

Description:

4H-1,2,4-Triazole-3-acetic acid, 4-methyl-5-phenyl-, sodium salt (1:1) is a chemical compound characterized by its triazole ring structure, which contributes to its biological activity and potential applications in pharmaceuticals. This compound typically exhibits solubility in water due to the presence of the sodium salt form, enhancing its bioavailability. The triazole moiety is known for its role in various biological processes and can act as a ligand in coordination chemistry. The presence of the acetic acid group suggests potential acidity, while the methyl and phenyl substituents can influence the compound's hydrophobicity and interaction with biological targets. This compound may exhibit antifungal, antibacterial, or herbicidal properties, making it of interest in agricultural and medicinal chemistry. Its stability, reactivity, and specific interactions with enzymes or receptors would depend on the surrounding pH and environmental conditions. Overall, this compound represents a versatile structure with potential applications in various fields, including agrochemicals and pharmaceuticals.

Formula: C₁₁H₁₁N₃O₂·Na

InChI: InChI=1S/C11H11N3O2.Na/c1-14-9(7-10(15)16)12-13-11(14)8-5-3-2-4-6-8;/h2-6H,7H2,1H3,(H,15,16);

InChI key: InChIKey=NDAMKSVEPAQXEU-UHFFFAOYSA-N

SMILES: CN1C(=NN=C1CC(O)=O)C2=CC=CC=C2.[Na]

Synonyms:

• 4H-1,2,4-Triazole-3-acetic acid, 4-methyl-5-phenyl-, sodium salt (1:1)

Sodium 2-(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)acetate

CAS: 1240528-61-3

Versatile small molecule scaffold

Formula: C₁₁H₁₀N₃NaO₂

Purity: Min. 95%

Molecular weight: 239.21 g/mol

Ref: 3D-QZB52861