(1,5-dimethyl-1H-indazol-3-yl)methanamine

• ChemBase ID: 308092
• Molecular Formular: C10H13N3
• Molecular Mass: 175.23032
• Monoisotopic Mass: 175.11094743
• SMILES: n1n(c2c(c1CN)cc(cc2)C)C
• Canonical SMILES: NCc1nn(c2c1cc(C)cc2)C
• InChI: InChI=1S/C10H13N3/c1-7-3-4-10-8(5-7)9(6-11)12-13(10)2/h3-5H,6,11H2,1-2H3
• InChIKey: JSJULHWQCDKODV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,5-dimethyl-1H-indazol-3-yl)methanamine
• IUPAC Traditional name: (1,5-dimethylindazol-3-yl)methanamine
• Synonyms: 1-(1,5-dimethyl-1H-indazol-3-yl)methanamine

Database IDs

• CAS Number: 1060817-08-4
• MDL Number: MFCD11053913

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6606147
• LogD (pH = 7.4): -0.1576249
• Log P: 1.1406455
• Molar Refractivity: 64.2815 cm^3
• Polarizability: 21.58141 Å^3
• Polar Surface Area: 43.84 Å^2