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

• ChemBase ID: 118804
• Molecular Formular: C9H13N3
• Molecular Mass: 163.21962
• Monoisotopic Mass: 163.11094743
• SMILES: N1c2c(NC(C1C)C)cccn2
• Canonical SMILES: CC1Nc2ncccc2NC1C
• InChI: InChI=1S/C9H13N3/c1-6-7(2)12-9-8(11-6)4-3-5-10-9/h3-7,11H,1-2H3,(H,10,12)
• InChIKey: SMZWRKUMQQSCCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20665138
• PubChem SID: 162102791
• PubChem CID: 12268943

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.19054933
• LogD (pH = 7.4): 0.8471093
• Log P: 0.95721227
• Molar Refractivity: 51.4708 cm^3
• Polarizability: 18.344652 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.943

Product Information

• Purity: 95+%