4-azido-[1,2,3,4]tetrazolo[1,5-a]quinoxaline

• ChemBase ID: 238151
• Molecular Formular: C8H4N8
• Molecular Mass: 212.17096
• Monoisotopic Mass: 212.05589217
• SMILES: c12n(nnn2)c2c(nc1N=[N+]=[N-])cccc2
• Canonical SMILES: [N-]=[N+]=Nc1nc2ccccc2n2c1nnn2
• InChI: InChI=1S/C8H4N8/c9-13-11-7-8-12-14-15-16(8)6-4-2-1-3-5(6)10-7/h1-4H
• InChIKey: CVRVVKBADMPUJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-azido-[1,2,3,4]tetrazolo[1,5-a]quinoxaline
• IUPAC Traditional name: 4-azido-[1,2,3,4]tetrazolo[1,5-a]quinoxaline
• Synonyms: 4-azido-[1,2,3,4]tetrazolo[1,5-a]quinoxaline

Database IDs

• MDL Number: MFCD07423358
• PubChem SID: 164294061
• PubChem CID: 52427315

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.8907698
• LogD (pH = 7.4): 1.8907698
• Log P: 2.0048156
• Molar Refractivity: 68.5507 cm^3
• Polarizability: 20.44622 Å^3
• Polar Surface Area: 85.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.234

Product Information

• Purity: 95%