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

• ChemBase ID: 236805
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: c12ncc(cc1NCCN2)C
• Canonical SMILES: Cc1cc2NCCNc2nc1
• InChI: InChI=1S/C8H11N3/c1-6-4-7-8(11-5-6)10-3-2-9-7/h4-5,9H,2-3H2,1H3,(H,10,11)
• InChIKey: WGQVPTWRKMXGON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazine
• IUPAC Traditional name: 7-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazine
• Synonyms: 7-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazine

Database IDs

• MDL Number: MFCD18252983
• PubChem SID: 164292715
• PubChem CID: 71755787

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7153449
• LogD (pH = 7.4): 0.35066712
• Log P: 0.6374836
• Molar Refractivity: 47.6744 cm^3
• Polarizability: 16.42555 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 129°C
• Hydrophobicity(logP): 2.002

Product Information

• Purity: 95%