1H-imidazo[4,5-c]pyridin-4-amine

• ChemBase ID: 288227
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: Nc1nccc2c1nc[nH]2
• Canonical SMILES: Nc1nccc2c1nc[nH]2
• InChI: InChI=1S/C6H6N4/c7-6-5-4(1-2-8-6)9-3-10-5/h1-3H,(H2,7,8)(H,9,10)
• InChIKey: UHUHBFMZVCOEOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-imidazo[4,5-c]pyridin-4-amine
• IUPAC Traditional name: 1H-imidazo[4,5-c]pyridin-4-amine
• Synonyms: 1H-Imidazo[4,5-c]pyridin-4-amine

Database IDs

• CAS Number: 6811-77-4
• MDL Number: MFCD15143403
• PubChem SID: 180673758
• PubChem CID: 418745

CALCULATED PROPERTIES

• LogD (pH = 5.5): -0.22617403
• LogD (pH = 7.4): -0.19371721
• Log P: -0.19263685
• Molar Refractivity: 37.8255 cm^3
• Polarizability: 14.8968725 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 10.186236
• H Acceptors: 3
• H Donor: 2

PROPERTIES

Product Information

• Purity: 95+%