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

• ChemBase ID: 232897
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n12c(ccc1C)C(NCC2)C
• Canonical SMILES: CC1NCCn2c1ccc2C
• InChI: InChI=1S/C9H14N2/c1-7-3-4-9-8(2)10-5-6-11(7)9/h3-4,8,10H,5-6H2,1-2H3
• InChIKey: FHVWOMCSCGPZSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,6-dimethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine
• IUPAC Traditional name: 1,6-dimethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine
• Synonyms: 1,6-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

Database IDs

• MDL Number: MFCD06660671
• PubChem SID: 164288807
• PubChem CID: 3672668

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5402681
• LogD (pH = 7.4): 0.15776658
• Log P: 1.1997674
• Molar Refractivity: 46.4385 cm^3
• Polarizability: 17.888508 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.465

Product Information

• Purity: 95%