5-methyl-1H-indazol-6-amine

• ChemBase ID: 269420
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: n1[nH]c2c(cc(c(c2)N)C)c1
• Canonical SMILES: Nc1cc2[nH]ncc2cc1C
• InChI: InChI=1S/C8H9N3/c1-5-2-6-4-10-11-8(6)3-7(5)9/h2-4H,9H2,1H3,(H,10,11)
• InChIKey: WFMLWPRGJHUSEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1H-indazol-6-amine
• IUPAC Traditional name: 5-methyl-1H-indazol-6-amine
• Synonyms: 5-methyl-1H-indazol-6-amine

Database IDs

• MDL Number: MFCD09880182
• PubChem SID: 164325330
• PubChem CID: 12637841

CALCULATED PROPERTIES

• Acid pKa: 14.48146
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9784782
• LogD (pH = 7.4): 0.98077375
• Log P: 0.98080313
• Molar Refractivity: 45.8147 cm^3
• Polarizability: 17.56249 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 1.485

Product Information

• Purity: 95%