(1-methyl-1H-indazol-5-yl)methanamine

• ChemBase ID: 87428
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: n1cc2cc(ccc2n1C)CN
• Canonical SMILES: NCc1ccc2c(c1)cnn2C
• InChI: InChI=1S/C9H11N3/c1-12-9-3-2-7(5-10)4-8(9)6-11-12/h2-4,6H,5,10H2,1H3
• InChIKey: ILYZCZGIDUYDOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-indazol-5-yl)methanamine
• IUPAC Traditional name: (1-methylindazol-5-yl)methanamine
• Synonyms: (1-Methyl-1H-indazol-5-yl)methylamine; 5-(Aminomethyl)-1-methyl-1H-indazole

Database IDs

• MDL Number: MFCD12028599
• PubChem SID: 162074510
• PubChem CID: 23000156

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4277482
• LogD (pH = 7.4): -1.3881458
• Log P: 0.54575217
• Molar Refractivity: 59.7625 cm^3
• Polarizability: 19.814863 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant