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

• ChemBase ID: 17105
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: c12n(ccc2)CCNC1CC
• Canonical SMILES: CCC1NCCn2c1ccc2
• InChI: InChI=1S/C9H14N2/c1-2-8-9-4-3-6-11(9)7-5-10-8/h3-4,6,8,10H,2,5,7H2,1H3
• InChIKey: KXOHPRHOYYETRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine
• IUPAC Traditional name: 1-ethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine
• Synonyms: 1-ethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine; 1-Ethyl-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine

Database IDs

• CAS Number: 118959-62-9
• MDL Number: MFCD07186359
• PubChem SID: 160980412
• PubChem CID: 3159598

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2881336
• LogD (pH = 7.4): 0.38232553
• Log P: 1.5227284
• Molar Refractivity: 45.8128 cm^3
• Polarizability: 17.96882 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false