4-(1H-imidazol-1-yl)pyridin-3-amine

• ChemBase ID: 275945
• Molecular Formular: C8H8N4
• Molecular Mass: 160.17592
• Monoisotopic Mass: 160.07489628
• SMILES: n1(c2c(N)cncc2)cncc1
• Canonical SMILES: Nc1cnccc1n1cncc1
• InChI: InChI=1S/C8H8N4/c9-7-5-10-2-1-8(7)12-4-3-11-6-12/h1-6H,9H2
• InChIKey: KLZGMGOCHJUGBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1H-imidazol-1-yl)pyridin-3-amine
• IUPAC Traditional name: 4-(imidazol-1-yl)pyridin-3-amine
• Synonyms: 4-(1H-imidazol-1-yl)pyridin-3-amine

Database IDs

• MDL Number: MFCD08668600
• PubChem SID: 164331855
• PubChem CID: 18953548

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3629744
• LogD (pH = 7.4): -1.6385103
• Log P: -0.8342
• Molar Refractivity: 56.5499 cm^3
• Polarizability: 17.65121 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134 - 136°C
• Hydrophobicity(logP): 0.421

Product Information

• Purity: 95%