1H-1,2,3,4-tetrazol-5-ylmethanamine hydrobromide

• ChemBase ID: 310232
• Molecular Formular: C2H6BrN5
• Molecular Mass: 180.00654
• Monoisotopic Mass: 178.98065722
• SMILES: n1nc([nH]n1)CN.Br
• Canonical SMILES: NCc1nnn[nH]1.Br
• InChI: InChI=1S/C2H5N5.BrH/c3-1-2-4-6-7-5-2;/h1,3H2,(H,4,5,6,7);1H
• InChIKey: XGMYJTPTRRDWGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-1,2,3,4-tetrazol-5-ylmethanamine hydrobromide
• IUPAC Traditional name: 1H-1,2,3,4-tetrazol-5-ylmethanamine hydrobromide
• Synonyms: (1H-tetrazol-5-ylmethyl)amine hydrobromide

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.1182544
• LogD (pH = 7.4): -3.1190033
• Log P: -3.1171944
• Molar Refractivity: 26.119 cm^3
• Polarizability: 8.847747 Å^3
• Polar Surface Area: 80.48 Å^2