1-[(E)-2-(1H-1,2,3-triazol-1-yl)diazen-1-yl]-1H-1,2,3-triazole

• ChemBase ID: 125080
• Molecular Formular: C4H4N8
• Molecular Mass: 164.12816
• Monoisotopic Mass: 164.05589217
• SMILES: c1cnnn1/N=N/n1ccnn1
• Canonical SMILES: n1ccn(n1)/N=N/n1ccnn1
• InChI: InChI=1S/C4H4N8/c1-3-11(7-5-1)9-10-12-4-2-6-8-12/h1-4H/b10-9+
• InChIKey: WUPZAQSKRMYJNB-MDZDMXLPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(E)-2-(1H-1,2,3-triazol-1-yl)diazen-1-yl]-1H-1,2,3-triazole
• IUPAC Traditional name: 1,1'-azobis-1,2,3-triazole
• Synonyms: 1,1'-Azobis-1,2,3-triazole

Database IDs

• PubChem SID: 162219430
• PubChem CID: 71308130
• Chemspider ID: 26234930
• Wikipedia Title: 1,1'-Azobis-1,2,3-triazole

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.08547776
• LogD (pH = 7.4): -0.085475445
• Log P: -0.085475415
• Molar Refractivity: 64.6718 cm^3
• Polarizability: 13.6792145 Å^3
• Polar Surface Area: 86.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Main Hazard: Explosive