1H-pyrazolo[3,4-c]pyridin-3-amine

• ChemBase ID: 89619
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: n1ccc2c(c1)[nH]nc2N
• Canonical SMILES: Nc1n[nH]c2c1ccnc2
• InChI: InChI=1S/C6H6N4/c7-6-4-1-2-8-3-5(4)9-10-6/h1-3H,(H3,7,9,10)
• InChIKey: LGZRIKTZAOPKET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrazolo[3,4-c]pyridin-3-amine
• IUPAC Traditional name: 1H-pyrazolo[3,4-c]pyridin-3-amine
• Synonyms: 1H-Pyrazolo[3,4-c]pyridin-3-amine; 3-Amino-6-azaindole; 3-Amino-1H-pyrazolo[3,4-c]pyridine; 1H-Pyrazolo[3,4-c]pyridin-3-amine

Database IDs

• CAS Number: 76006-17-2
• MDL Number: MFCD11656373
• PubChem SID: 162076484
• PubChem CID: 11018912

CALCULATED PROPERTIES

• Acid pKa: 13.626163
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.15782067
• LogD (pH = 7.4): -0.15585849
• Log P: -0.15583317
• Molar Refractivity: 38.9301 cm^3
• Polarizability: 14.884034 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Store under Argon

Product Information

• Purity: 95+%