3-methyl-1H-indazol-6-amine

• ChemBase ID: 246047
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: n1[nH]c2c(c1C)ccc(c2)N
• Canonical SMILES: Nc1ccc2c(c1)[nH]nc2C
• InChI: InChI=1S/C8H9N3/c1-5-7-3-2-6(9)4-8(7)11-10-5/h2-4H,9H2,1H3,(H,10,11)
• InChIKey: HWSCSUHNTVVKSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1H-indazol-6-amine
• IUPAC Traditional name: 3-methyl-1H-indazol-6-amine
• Synonyms: 3-methyl-1H-indazol-6-amine

Database IDs

• MDL Number: MFCD11007871
• PubChem SID: 164301957
• PubChem CID: 21956337

CALCULATED PROPERTIES

• Acid pKa: 14.98768
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.59424746
• LogD (pH = 7.4): 0.5986949
• Log P: 0.5987519
• Molar Refractivity: 45.365 cm^3
• Polarizability: 17.560682 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 1.304

Product Information

• Purity: 95%