2-methyl-6-(pyrrolidin-2-yl)pyrazine dihydrochloride

• ChemBase ID: 63047
• Molecular Formular: C9H15Cl2N3
• Molecular Mass: 236.1415
• Monoisotopic Mass: 235.06430286
• SMILES: n1c(C2NCCC2)cncc1C.Cl.Cl
• Canonical SMILES: Cc1cncc(n1)C1CCCN1.Cl.Cl
• InChI: InChI=1S/C9H13N3.2ClH/c1-7-5-10-6-9(12-7)8-3-2-4-11-8;;/h5-6,8,11H,2-4H2,1H3;2*1H
• InChIKey: DWPMYTAOHUQBAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(pyrrolidin-2-yl)pyrazine dihydrochloride
• IUPAC Traditional name: 2-methyl-6-(pyrrolidin-2-yl)pyrazine dihydrochloride
• Synonyms: 2-Methyl-6-pyrrolidin-2-yl-pyrazine dihydrochloride

Database IDs

• MDL Number: MFCD21606270
• PubChem SID: 162028786
• PubChem CID: 71298995

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.153622
• LogD (pH = 7.4): -1.757867
• Log P: -0.0731544
• Molar Refractivity: 46.3478 cm^3
• Polarizability: 18.45964 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false