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

• ChemBase ID: 87454
• Molecular Formular: C10H13N3
• Molecular Mass: 175.23032
• Monoisotopic Mass: 175.11094743
• SMILES: n1cc2ccc(cc2n1C)C(C)N
• Canonical SMILES: CC(c1ccc2c(c1)n(C)nc2)N
• InChI: InChI=1S/C10H13N3/c1-7(11)8-3-4-9-6-12-13(2)10(9)5-8/h3-7H,11H2,1-2H3
• InChIKey: XGALVTPNDQHOPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162104517
• PubChem CID: 44119242

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0351121
• LogD (pH = 7.4): -1.1808436
• Log P: 0.96232724
• Molar Refractivity: 64.1813 cm^3
• Polarizability: 21.661524 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant