1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

• ChemBase ID: 24595
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n12c(ccc1)CNCC2
• Canonical SMILES: N1CCn2c(C1)ccc2
• InChI: InChI=1S/C7H10N2/c1-2-7-6-8-3-5-9(7)4-1/h1-2,4,8H,3,5-6H2
• InChIKey: YZBDXDPBLIQCJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine
• IUPAC Traditional name: 1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine
• Synonyms: 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine

Database IDs

• CAS Number: 71257-38-0
• MDL Number: MFCD00296976
• PubChem SID: 160987902
• PubChem CID: 1549128

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0693886
• LogD (pH = 7.4): -0.34952587
• Log P: 0.583631
• Molar Refractivity: 36.87 cm^3
• Polarizability: 14.278182 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false