1-ethyl-6-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

• ChemBase ID: 17106
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c12n(c(cc2)C)CCNC1CC
• Canonical SMILES: CCC1NCCn2c1ccc2C
• InChI: InChI=1S/C10H16N2/c1-3-9-10-5-4-8(2)12(10)7-6-11-9/h4-5,9,11H,3,6-7H2,1-2H3
• InChIKey: NMOHTTFSJULSAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-6-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine
• IUPAC Traditional name: 1-ethyl-6-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine
• Synonyms: 1-Ethyl-6-methyl-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine

Database IDs

• MDL Number: MFCD07186393
• PubChem SID: 160980413
• PubChem CID: 3159599

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1090494
• LogD (pH = 7.4): 0.55139995
• Log P: 1.7222898
• Molar Refractivity: 50.9625 cm^3
• Polarizability: 19.734203 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