1H,2H,3H,4H-pyrido[3,4-b]pyrazine

• ChemBase ID: 235879
• Molecular Formular: C7H9N3
• Molecular Mass: 135.16646
• Monoisotopic Mass: 135.0796473
• SMILES: c12NCCNc1ccnc2
• Canonical SMILES: C1CNc2c(N1)cncc2
• InChI: InChI=1S/C7H9N3/c1-2-8-5-7-6(1)9-3-4-10-7/h1-2,5,9-10H,3-4H2
• InChIKey: BCLNCKWTUZQTHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,2H,3H,4H-pyrido[3,4-b]pyrazine
• IUPAC Traditional name: 1H,2H,3H,4H-pyrido[3,4-b]pyrazine
• Synonyms: 1H,2H,3H,4H-pyrido[3,4-b]pyrazine

Database IDs

• MDL Number: MFCD13193470
• PubChem SID: 164291789
• PubChem CID: 17801437

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4545302
• LogD (pH = 7.4): -1.3732485
• Log P: -0.4703953
• Molar Refractivity: 42.3197 cm^3
• Polarizability: 14.6579275 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135 - 137°C
• Hydrophobicity(logP): 1.503

Product Information

• Purity: 95%