(1-methyl-1H-indazol-7-yl)methanamine

• ChemBase ID: 87430
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: n1cc2cccc(c2n1C)CN
• Canonical SMILES: NCc1cccc2c1n(C)nc2
• InChI: InChI=1S/C9H11N3/c1-12-9-7(5-10)3-2-4-8(9)6-11-12/h2-4,6H,5,10H2,1H3
• InChIKey: WZOAEPYOQRNXMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-indazol-7-yl)methanamine
• IUPAC Traditional name: (1-methylindazol-7-yl)methanamine
• Synonyms: (1-Methyl-1H-indazol-7-yl)methylamine; 7-(Aminomethyl)-1-methyl-1H-indazole

Database IDs

• PubChem SID: 162104502
• PubChem CID: 44119281

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4485283
• LogD (pH = 7.4): -1.5639757
• Log P: 0.54575217
• Molar Refractivity: 59.7625 cm^3
• Polarizability: 19.816015 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant