5,6-diphenyl-2,3-dihydropyrazine

• ChemBase ID: 85536
• Molecular Formular: C16H14N2
• Molecular Mass: 234.29576
• Monoisotopic Mass: 234.11569846
• SMILES: N1=C(c2ccccc2)C(=NCC1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C1=NCCN=C1c1ccccc1
• InChI: InChI=1S/C16H14N2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-10H,11-12H2
• InChIKey: RKLPQDGVFVQQOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-diphenyl-2,3-dihydropyrazine
• IUPAC Traditional name: 2,3-diphenyl-5,6-dihydropyrazine
• Synonyms: 2,3-DIHYDRO-5,6-DIPHENYL PYRAZINE; 5,6-diphenyl-2,3-dihydropyrazine

Database IDs

• CAS Number: 1489-06-1
• MDL Number: MFCD00047388
• PubChem SID: 162072652
• PubChem CID: 256218

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.74589366
• LogD (pH = 7.4): 2.497583
• Log P: 3.5458767
• Molar Refractivity: 74.0114 cm^3
• Polarizability: 28.039053 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224347

MP Biomedicals Rare Chemical collection