2-methyl-2H-indazol-5-amine

• ChemBase ID: 40530
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: c12c(nn(c1)C)ccc(c2)N
• Canonical SMILES: Nc1ccc2c(c1)cn(n2)C
• InChI: InChI=1S/C8H9N3/c1-11-5-6-4-7(9)2-3-8(6)10-11/h2-5H,9H2,1H3
• InChIKey: MJIJVSMBCITEKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2H-indazol-5-amine
• IUPAC Traditional name: 2-methylindazol-5-amine
• Synonyms: 2-Methyl-2H-indazol-5-amine; 2-Methyl-2H-indazol-5-amine; 5-Amino-2-methyl-2H-indazole

Database IDs

• CAS Number: 60518-59-4
• MDL Number: MFCD03787060
• PubChem SID: 162045293
• PubChem CID: 1491252

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9439136
• LogD (pH = 7.4): 0.9474616
• Log P: 0.947507
• Molar Refractivity: 55.74 cm^3
• Polarizability: 17.569832 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125 °C; 125°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 97%