4-methyl-1H-indazol-7-amine

• ChemBase ID: 43267
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: c12c(cn[nH]1)c(ccc2N)C
• Canonical SMILES: Cc1ccc(c2c1cn[nH]2)N
• InChI: InChI=1S/C8H9N3/c1-5-2-3-7(9)8-6(5)4-10-11-8/h2-4H,9H2,1H3,(H,10,11)
• InChIKey: GYFUDPSPYMFYPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1H-indazol-7-amine
• IUPAC Traditional name: 4-methyl-1H-indazol-7-amine
• Synonyms: 4-Methyl-1H-indazol-7-amine; 7-Amino-4-methyl-1H-indazole; 4-Methyl-1H-indazol-7-amine

Database IDs

• CAS Number: 952183-44-7
• MDL Number: MFCD09607935
• PubChem SID: 162048030
• PubChem CID: 24213817

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 13.907449
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9064141
• LogD (pH = 7.4): 0.97978204
• Log P: 0.98080313
• Molar Refractivity: 45.8147 cm^3
• Polarizability: 17.564646 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0

PROPERTIES

Physical Property

• Melting Point: 211 - 214 °C; 211-214°C
• Hydrophobicity(logP): 1.535

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%; 95%