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

• ChemBase ID: 255312
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: n12c(ccc1C(NCC2)C)C(=O)NC
• Canonical SMILES: CNC(=O)c1ccc2n1CCNC2C
• InChI: InChI=1S/C10H15N3O/c1-7-8-3-4-9(10(14)11-2)13(8)6-5-12-7/h3-4,7,12H,5-6H2,1-2H3,(H,11,14)
• InChIKey: OYRGMQSSJKXOSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11099399
• PubChem SID: 164311222
• PubChem CID: 43810566

CALCULATED PROPERTIES

• Acid pKa: 15.533672
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2905412
• LogD (pH = 7.4): -0.5746514
• Log P: -0.0054764873
• Molar Refractivity: 55.1414 cm^3
• Polarizability: 20.796326 Å^3
• Polar Surface Area: 46.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 0.305

Product Information

• Purity: 95%