4,5,6,7-tetrahydro-1H-indazol-7-amine

• ChemBase ID: 274905
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: c12c(cn[nH]1)CCCC2N
• Canonical SMILES: NC1CCCc2c1[nH]nc2
• InChI: InChI=1S/C7H11N3/c8-6-3-1-2-5-4-9-10-7(5)6/h4,6H,1-3,8H2,(H,9,10)
• InChIKey: WOALOICTMCSWHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5,6,7-tetrahydro-1H-indazol-7-amine
• IUPAC Traditional name: 4,5,6,7-tetrahydro-1H-indazol-7-amine
• Synonyms: 4,5,6,7-tetrahydro-1H-indazol-7-amine

Database IDs

• MDL Number: MFCD19203300
• PubChem SID: 164330815
• PubChem CID: 21941962

CALCULATED PROPERTIES

• Acid pKa: 14.952657
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6170206
• LogD (pH = 7.4): -1.376484
• Log P: 0.3119923
• Molar Refractivity: 40.2781 cm^3
• Polarizability: 15.216135 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.064

Product Information

• Purity: 95%