(2-methyl-2H-indazol-7-yl)methanamine

• ChemBase ID: 87439
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: n1(cc2c(n1)c(ccc2)CN)C
• Canonical SMILES: NCc1cccc2c1nn(c2)C
• InChI: InChI=1S/C9H11N3/c1-12-6-8-4-2-3-7(5-10)9(8)11-12/h2-4,6H,5,10H2,1H3
• InChIKey: LIIMTLFJRIQKEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methyl-2H-indazol-7-yl)methanamine
• IUPAC Traditional name: (2-methylindazol-7-yl)methanamine
• Synonyms: (2-Methyl-2H-indazol-7-yl)methylamine; 7-(Aminomethyl)-2-methyl-2H-indazole

Database IDs

• MDL Number: MFCD11869761
• PubChem SID: 162074514
• PubChem CID: 44119221

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0825074
• LogD (pH = 7.4): -1.1185935
• Log P: 0.9022014
• Molar Refractivity: 59.513 cm^3
• Polarizability: 19.824137 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant