2-(1H-imidazol-2-yl)pyrazine

• ChemBase ID: 267963
• Molecular Formular: C7H6N4
• Molecular Mass: 146.14934
• Monoisotopic Mass: 146.05924621
• SMILES: c1(c2nccnc2)ncc[nH]1
• Canonical SMILES: c1cnc(cn1)c1ncc[nH]1
• InChI: InChI=1S/C7H6N4/c1-2-9-6(5-8-1)7-10-3-4-11-7/h1-5H,(H,10,11)
• InChIKey: KBXRNBDAFWDLKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-imidazol-2-yl)pyrazine
• IUPAC Traditional name: 2-(1H-imidazol-2-yl)pyrazine
• Synonyms: 2-(1H-imidazol-2-yl)pyrazine

Database IDs

• CAS Number: 119165-68-3
• MDL Number: MFCD08668973
• PubChem SID: 164323873
• PubChem CID: 20380174

CALCULATED PROPERTIES

• Acid pKa: 11.282992
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.17170587
• LogD (pH = 7.4): -0.1700254
• Log P: -0.16994849
• Molar Refractivity: 49.4286 cm^3
• Polarizability: 15.626789 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.0040

Product Information

• Purity: 95%; 95+%