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

• ChemBase ID: 276091
• Molecular Formular: C4H7N5
• Molecular Mass: 125.13188
• Monoisotopic Mass: 125.07014525
• SMILES: c1(C2(CC2)N)nnn[nH]1
• Canonical SMILES: NC1(CC1)c1nnn[nH]1
• InChI: InChI=1S/C4H7N5/c5-4(1-2-4)3-6-8-9-7-3/h1-2,5H2,(H,6,7,8,9)
• InChIKey: SVOLEXMNCRMWRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19213097
• PubChem SID: 164332001
• PubChem CID: 54594003

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): -2.4242356
• LogD (pH = 7.4): -2.4248903
• Log P: -2.4234624
• Molar Refractivity: 33.37 cm^3
• Polarizability: 11.778121 Å^3
• Polar Surface Area: 80.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 2.9591682
• H Acceptors: 4

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.167

Product Information

• Purity: 95%