1-(propan-2-yl)-1H-indazol-6-amine

• ChemBase ID: 265587
• Molecular Formular: C10H13N3
• Molecular Mass: 175.23032
• Monoisotopic Mass: 175.11094743
• SMILES: n1(ncc2c1cc(N)cc2)C(C)C
• Canonical SMILES: Nc1ccc2c(c1)n(nc2)C(C)C
• InChI: InChI=1S/C10H13N3/c1-7(2)13-10-5-9(11)4-3-8(10)6-12-13/h3-7H,11H2,1-2H3
• InChIKey: VIIFGRCMHZRVSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(propan-2-yl)-1H-indazol-6-amine
• IUPAC Traditional name: 1-isopropylindazol-6-amine
• Synonyms: 1-(propan-2-yl)-1H-indazol-6-amine

Database IDs

• MDL Number: MFCD09727520
• PubChem SID: 164321497
• PubChem CID: 22693546

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3599951
• LogD (pH = 7.4): 1.3643845
• Log P: 1.3644408
• Molar Refractivity: 65.1569 cm^3
• Polarizability: 21.253876 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 1.583

Product Information

• Purity: 95%