(5-methyl-1H-indazol-3-yl)methanamine

• ChemBase ID: 308100
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: n1[nH]c2c(c1CN)cc(cc2)C
• Canonical SMILES: Cc1cc2c(CN)n[nH]c2cc1
• InChI: InChI=1S/C9H11N3/c1-6-2-3-8-7(4-6)9(5-10)12-11-8/h2-4H,5,10H2,1H3,(H,11,12)
• InChIKey: YPJDAMOTHFUFQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1177329-20-2
• MDL Number: MFCD20502615

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7859998
• LogD (pH = 7.4): -0.28518018
• Log P: 1.0169694
• Molar Refractivity: 49.0655 cm^3
• Polarizability: 19.819187 Å^3
• Polar Surface Area: 54.7 Å^2