6-cyclopropyl-1-methyl-1H-pyrazolo[3,4-b]pyridin-3-amine

• ChemBase ID: 44740
• Molecular Formular: C10H12N4
• Molecular Mass: 188.22908
• Monoisotopic Mass: 188.1061964
• SMILES: c12c(c(nn1C)N)ccc(n2)C1CC1
• Canonical SMILES: Nc1nn(c2c1ccc(n2)C1CC1)C
• InChI: InChI=1S/C10H12N4/c1-14-10-7(9(11)13-14)4-5-8(12-10)6-2-3-6/h4-6H,2-3H2,1H3,(H2,11,13)
• InChIKey: BJCNRAXMZLAQJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-cyclopropyl-1-methyl-1H-pyrazolo[3,4-b]pyridin-3-amine
• IUPAC Traditional name: 6-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-3-amine
• Synonyms: 6-Cyclopropyl-1-methyl-1H-pyrazolo[3,4-b]pyridin-3-ylamine

Database IDs

• MDL Number: MFCD11841045
• PubChem SID: 162049503
• PubChem CID: 36995592

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2433763
• LogD (pH = 7.4): 1.2464322
• Log P: 1.2464714
• Molar Refractivity: 66.0894 cm^3
• Polarizability: 20.688265 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142 - 145 °C; 142-145°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%