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

• ChemBase ID: 39711
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: n1n(c2c(c1)cc(cc2)N)C
• Canonical SMILES: Nc1ccc2c(c1)cnn2C
• InChI: InChI=1S/C8H9N3/c1-11-8-3-2-7(9)4-6(8)5-10-11/h2-5H,9H2,1H3
• InChIKey: PYOFNPHTKBSXOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-indazol-5-amine
• IUPAC Traditional name: 1-methylindazol-5-amine
• Synonyms: 1-Methyl-1H-indazol-5-amine; 1-Methyl-1H-indazol-5-amine; 5-Amino-1-methyl-1H-indazole

Database IDs

• CAS Number: 50593-24-3
• MDL Number: MFCD03305455
• PubChem SID: 161003018
• PubChem CID: 2768032

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.58751935
• LogD (pH = 7.4): 0.5910131
• Log P: 0.5910578
• Molar Refractivity: 55.9895 cm^3
• Polarizability: 17.561903 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142 - 144 °C; 142-144°C

Safety Information

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

Product Information

• Purity: >95%; 95+%; 98%