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

• ChemBase ID: 234869
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: c12N(CCNc2cccn1)C
• Canonical SMILES: CN1CCNc2c1nccc2
• InChI: InChI=1S/C8H11N3/c1-11-6-5-9-7-3-2-4-10-8(7)11/h2-4,9H,5-6H2,1H3
• InChIKey: YVZCIDDDDCENGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08062793
• PubChem SID: 164290779
• PubChem CID: 50742427

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3640317
• LogD (pH = 7.4): 0.65895134
• Log P: 0.75932795
• Molar Refractivity: 46.868 cm^3
• Polarizability: 16.502369 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89 - 91°C
• Hydrophobicity(logP): 1.866

Product Information

• Purity: 95%