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

• ChemBase ID: 255953
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c12c(n(nc1)C)CCCC2N
• Canonical SMILES: NC1CCCc2c1cnn2C
• InChI: InChI=1S/C8H13N3/c1-11-8-4-2-3-7(9)6(8)5-10-11/h5,7H,2-4,9H2,1H3
• InChIKey: QDECMLXPLVRYBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09054895
• PubChem SID: 164311863
• PubChem CID: 43243410

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.694834
• LogD (pH = 7.4): -1.6617795
• Log P: 0.27976087
• Molar Refractivity: 55.6481 cm^3
• Polarizability: 16.974901 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.048

Product Information

• Purity: 95%