1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-3-amine

• ChemBase ID: 242243
• Molecular Formular: C6H10N4
• Molecular Mass: 138.1704
• Monoisotopic Mass: 138.09054634
• SMILES: c12c([nH]nc1N)NCCC2
• Canonical SMILES: Nc1n[nH]c2c1CCCN2
• InChI: InChI=1S/C6H10N4/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H2,(H4,7,8,9,10)
• InChIKey: NQSQLNVGDHZRMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-3-amine
• IUPAC Traditional name: 1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-3-amine
• Synonyms: 1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-3-amine

Database IDs

• MDL Number: MFCD22578485
• PubChem SID: 164298153
• PubChem CID: 71756973

CALCULATED PROPERTIES

• Acid pKa: 16.774954
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.06822581
• LogD (pH = 7.4): 0.08709992
• Log P: 0.089487694
• Molar Refractivity: 42.117 cm^3
• Polarizability: 14.137835 Å^3
• Polar Surface Area: 66.73 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.0

Product Information

• Purity: 95%