pyrrolo[1,2-a]pyrazine

• ChemBase ID: 288234
• Molecular Formular: C7H6N2
• Molecular Mass: 118.13594
• Monoisotopic Mass: 118.0530982
• SMILES: c1nccn2c1ccc2
• Canonical SMILES: n1ccn2c(c1)ccc2
• InChI: InChI=1S/C7H6N2/c1-2-7-6-8-3-5-9(7)4-1/h1-6H
• InChIKey: QSLLFYVBWXWUQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrrolo[1,2-a]pyrazine
• IUPAC Traditional name: pyrrolo[1,2-a]pyrazine
• Synonyms: Pyrrolo[1,2-a]pyrazine

Database IDs

• CAS Number: 274-45-3
• PubChem SID: 180673765
• PubChem CID: 11018843

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.39208704
• LogD (pH = 7.4): 0.39208737
• Log P: 0.39208737
• Molar Refractivity: 35.9838 cm^3
• Polarizability: 13.98268 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%