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

• ChemBase ID: 276112
• Molecular Formular: C6H11N5
• Molecular Mass: 153.18504
• Monoisotopic Mass: 153.10144538
• SMILES: c1(nn[nH]n1)C1(N)CCCC1
• Canonical SMILES: NC1(CCCC1)c1n[nH]nn1
• InChI: InChI=1S/C6H11N5/c7-6(3-1-2-4-6)5-8-10-11-9-5/h1-4,7H2,(H,8,9,10,11)
• InChIKey: LWOFCRBEHCEGAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12796298
• PubChem SID: 164332022
• PubChem CID: 54594012

CALCULATED PROPERTIES

• Acid pKa: 6.080764
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6328641
• LogD (pH = 7.4): -1.0061815
• Log P: -1.0305678
• Molar Refractivity: 42.4462 cm^3
• Polarizability: 15.41878 Å^3
• Polar Surface Area: 80.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): -0.039

Product Information

• Purity: 95%