4-methyl-1H-indazol-6-amine

• ChemBase ID: 245570
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: c12c([nH]nc2)cc(cc1C)N
• Canonical SMILES: Nc1cc(C)c2c(c1)[nH]nc2
• InChI: InChI=1S/C8H9N3/c1-5-2-6(9)3-8-7(5)4-10-11-8/h2-4H,9H2,1H3,(H,10,11)
• InChIKey: AKINGKUOTZMZTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1H-indazol-6-amine
• IUPAC Traditional name: 4-methyl-1H-indazol-6-amine
• Synonyms: 4-methyl-1H-indazol-6-amine

Database IDs

• MDL Number: MFCD07781464
• PubChem SID: 164301480
• PubChem CID: 24728761

CALCULATED PROPERTIES

• Acid pKa: 14.503179
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9750258
• LogD (pH = 7.4): 0.9807299
• Log P: 0.98080313
• Molar Refractivity: 45.8147 cm^3
• Polarizability: 17.561975 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 1.535

Product Information

• Purity: 95%