1-ethyl-1H-1,2,3,4-tetrazol-5-amine

• ChemBase ID: 307360
• Molecular Formular: C3H7N5
• Molecular Mass: 113.12118
• Monoisotopic Mass: 113.07014525
• SMILES: c1(n(nnn1)CC)N
• Canonical SMILES: CCn1nnnc1N
• InChI: InChI=1S/C3H7N5/c1-2-8-3(4)5-6-7-8/h2H2,1H3,(H2,4,5,7)
• InChIKey: WGPNLKPTYJCEKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-1H-1,2,3,4-tetrazol-5-amine
• IUPAC Traditional name: 1-ethyl-1,2,3,4-tetrazol-5-amine
• Synonyms: 1-ethyl-1H-tetrazol-5-amine

Database IDs

• CAS Number: 65258-53-9
• MDL Number: MFCD02240714

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.43515697
• LogD (pH = 7.4): -0.4351563
• Log P: -0.4351563
• Molar Refractivity: 42.4569 cm^3
• Polarizability: 10.228398 Å^3
• Polar Surface Area: 69.62 Å^2