4,5,6,7-tetrahydro-2H-indazol-3-amine

• ChemBase ID: 307633
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: c12c([nH]nc1CCCC2)N
• Canonical SMILES: Nc1[nH]nc2c1CCCC2
• InChI: InChI=1S/C7H11N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H3,8,9,10)
• InChIKey: ZWSFFBUZTDBGKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5,6,7-tetrahydro-2H-indazol-3-amine
• IUPAC Traditional name: 4,5,6,7-tetrahydro-2H-indazol-3-amine
• Synonyms: 4,5,6,7-tetrahydro-2H-indazol-3-amine

Database IDs

• CAS Number: 41832-27-3
• MDL Number: MFCD12827628

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8363275
• LogD (pH = 7.4): 0.8636059
• Log P: 0.86396503
• Molar Refractivity: 40.7575 cm^3
• Polarizability: 14.751799 Å^3
• Polar Surface Area: 54.7 Å^2