3-(morpholin-4-yl)pyrazine-2-carbonitrile

• ChemBase ID: 802288
• Molecular Formular: C9H10N4O
• Molecular Mass: 190.2019
• Monoisotopic Mass: 190.08546096
• SMILES: c1(c(nccn1)C#N)N1CCOCC1
• Canonical SMILES: N#Cc1nccnc1N1CCOCC1
• InChI: InChI=1S/C9H10N4O/c10-7-8-9(12-2-1-11-8)13-3-5-14-6-4-13/h1-2H,3-6H2
• InChIKey: BXLNFJRCEBDZES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(morpholin-4-yl)pyrazine-2-carbonitrile
• IUPAC Traditional name: 3-(morpholin-4-yl)pyrazine-2-carbonitrile
• Synonyms: 3-(MORPHOLIN-4-YL)PYRAZINE-2-CARBONITRILE

Database IDs

• CAS Number: 67130-86-3

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.26384836
• LogD (pH = 7.4): 0.26384842
• Log P: 0.26384842
• Molar Refractivity: 50.9104 cm^3
• Polarizability: 18.883017 Å^3
• Polar Surface Area: 62.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%