CAS 890093-91-1

4-[5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl]-1,2,5-oxadiazol-3-amine

Description:

4-[5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl]-1,2,5-oxadiazol-3-amine, with the CAS number 890093-91-1, is a chemical compound characterized by its complex structure, which includes a benzodioxole moiety, a triazole ring, and an oxadiazole functional group. This compound typically exhibits properties such as moderate solubility in polar solvents and potential bioactivity, making it of interest in medicinal chemistry and drug development. The presence of multiple heterocycles suggests that it may engage in various interactions with biological targets, potentially influencing its pharmacological profile. Its synthesis often involves multi-step organic reactions, highlighting its complexity. Additionally, the compound may exhibit specific spectral characteristics in techniques such as NMR and mass spectrometry, aiding in its identification and characterization. Overall, this compound represents a class of heterocyclic compounds that may have applications in pharmaceuticals, particularly in the development of new therapeutic agents.

Formula: C₁₁H₈N₆O₃

InChI: InChI=1S/C11H8N6O3/c12-10-11(15-20-14-10)17-7(4-13-16-17)6-1-2-8-9(3-6)19-5-18-8/h1-4H,5H2,(H2,12,14)

InChI key: InChIKey=XLECHWDKFHNPRF-UHFFFAOYSA-N

SMILES: NC=1C(N2C(=CN=N2)C=3C=C4C(=CC3)OCO4)=NON1

Synonyms:

• 4-[5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl]-1,2,5-oxadiazol-3-amine
• 1,2,5-Oxadiazol-3-amine, 4-[5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl]-