2-(2-methyl-2H-indazol-4-yl)ethan-1-amine

• ChemBase ID: 87469
• Molecular Formular: C10H13N3
• Molecular Mass: 175.23032
• Monoisotopic Mass: 175.11094743
• SMILES: n1(C)cc2c(n1)cccc2CCN
• Canonical SMILES: NCCc1cccc2c1cn(n2)C
• InChI: InChI=1S/C10H13N3/c1-13-7-9-8(5-6-11)3-2-4-10(9)12-13/h2-4,7H,5-6,11H2,1H3
• InChIKey: FTMRXHJGYGNZDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-2H-indazol-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-methylindazol-4-yl)ethanamine
• Synonyms: 2-(2-Methyl-2H-indazol-4-yl)ethylamine; 4-(2-Aminoethyl)-2-methyl-2H-indazole

Database IDs

• PubChem SID: 162104520
• PubChem CID: 44119275

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8142049
• LogD (pH = 7.4): -1.0443008
• Log P: 1.1908627
• Molar Refractivity: 64.268 cm^3
• Polarizability: 21.590176 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant