2-(1-methyl-1H-indazol-6-yl)ethan-1-amine

• ChemBase ID: 87467
• Molecular Formular: C10H13N3
• Molecular Mass: 175.23032
• Monoisotopic Mass: 175.11094743
• SMILES: n1cc2ccc(cc2n1C)CCN
• Canonical SMILES: NCCc1ccc2c(c1)n(C)nc2
• InChI: InChI=1S/C10H13N3/c1-13-10-6-8(4-5-11)2-3-9(10)7-12-13/h2-3,6-7H,4-5,11H2,1H3
• InChIKey: KQWMUDLVXSUOOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methyl-1H-indazol-6-yl)ethan-1-amine
• IUPAC Traditional name: 2-(1-methylindazol-6-yl)ethanamine
• Synonyms: 2-(1-Methyl-1H-indazol-6-yl)ethylamine; 6-(2-Aminoethyl)-1-methyl-1H-indazole

Database IDs

• PubChem SID: 162104504
• PubChem CID: 44119273

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1735344
• LogD (pH = 7.4): -1.44115
• Log P: 0.8344134
• Molar Refractivity: 64.5175 cm^3
• Polarizability: 21.581856 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant