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

• ChemBase ID: 67037
• Molecular Formular: C7H9N3
• Molecular Mass: 135.16646
• Monoisotopic Mass: 135.0796473
• SMILES: c12c(NCCN1)cccn2
• Canonical SMILES: C1CNc2c(N1)nccc2
• InChI: InChI=1S/C7H9N3/c1-2-6-7(9-3-1)10-5-4-8-6/h1-3,8H,4-5H2,(H,9,10)
• InChIKey: HOFCYSNYAFJTSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 35808-40-3
• MDL Number: MFCD08062758
• PubChem SID: 162032773
• PubChem CID: 12531338

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0825384
• LogD (pH = 7.4): -0.0152823385
• Log P: 0.12406223
• Molar Refractivity: 42.6332 cm^3
• Polarizability: 14.662008 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.019
• Hydrophobicity(logP): 1.503

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%