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

• ChemBase ID: 87459
• Molecular Formular: C10H13N3
• Molecular Mass: 175.23032
• Monoisotopic Mass: 175.11094743
• SMILES: n1(cc2ccc(cc2n1)C(C)N)C
• Canonical SMILES: Cn1cc2c(n1)cc(cc2)C(N)C
• InChI: InChI=1S/C10H13N3/c1-7(11)8-3-4-9-6-13(2)12-10(9)5-8/h3-7H,11H2,1-2H3
• InChIKey: DCZVEEJJRQFVBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162104489
• PubChem CID: 44119247

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6725508
• LogD (pH = 7.4): -0.7616938
• Log P: 1.3187764
• Molar Refractivity: 63.9318 cm^3
• Polarizability: 21.669651 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant