2-(prop-2-en-1-yl)-2H-1,2,3,4-tetrazol-5-amine

• ChemBase ID: 308385
• Molecular Formular: C4H7N5
• Molecular Mass: 125.13188
• Monoisotopic Mass: 125.07014525
• SMILES: n1c(nnn1CC=C)N
• Canonical SMILES: C=CCn1nnc(n1)N
• InChI: InChI=1S/C4H7N5/c1-2-3-9-7-4(5)6-8-9/h2H,1,3H2,(H2,5,7)
• InChIKey: QCCVPOWMSULONB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(prop-2-en-1-yl)-2H-1,2,3,4-tetrazol-5-amine
• IUPAC Traditional name: 2-(prop-2-en-1-yl)-1,2,3,4-tetrazol-5-amine
• Synonyms: 2-allyl-2H-tetrazol-5-amine

Database IDs

• CAS Number: 74999-26-1
• MDL Number: MFCD00159726

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.43747422
• LogD (pH = 7.4): 0.43747368
• Log P: 0.4374743
• Molar Refractivity: 47.0342 cm^3
• Polarizability: 11.856876 Å^3
• Polar Surface Area: 69.62 Å^2