hexazine

• ChemBase ID: 127696
• Molecular Formular: N6
• Molecular Mass: 84.0402
• Monoisotopic Mass: 84.01844403
• SMILES: n1nnnnn1
• Canonical SMILES: n1nnnnn1
• InChI: InChI=1S/N6/c1-2-4-6-5-3-1
• InChIKey: YRBKSJIXFZPPGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexazine
• IUPAC Systematic name: Hexazine
• IUPAC Traditional name: hexazine
• Synonyms: Hexaazabenzene; Hexazine

Database IDs

• CAS Number: 7616-35-5
• PubChem SID: 162222014
• PubChem CID: 11966278
• CHEBI ID: 36869
• Chemspider ID: 10140271
• Gmelin ID: 1819
• Wikipedia Title: Hexazine

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -2.147774
• LogD (pH = 7.4): -2.147774
• Log P: -2.147774
• Molar Refractivity: 25.2378 cm^3
• Polarizability: 5.4604936 Å^3
• Polar Surface Area: 77.34 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true