6-chloro-N-cyclohexyl-N-methylpyrazin-2-amine

• ChemBase ID: 48416
• Molecular Formular: C11H16ClN3
• Molecular Mass: 225.71784
• Monoisotopic Mass: 225.10327521
• SMILES: n1c(N(C2CCCCC2)C)cncc1Cl
• Canonical SMILES: CN(c1cncc(n1)Cl)C1CCCCC1
• InChI: InChI=1S/C11H16ClN3/c1-15(9-5-3-2-4-6-9)11-8-13-7-10(12)14-11/h7-9H,2-6H2,1H3
• InChIKey: NHNRDKZRQYYFHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-cyclohexyl-N-methylpyrazin-2-amine
• IUPAC Traditional name: 6-chloro-N-cyclohexyl-N-methylpyrazin-2-amine
• Synonyms: 6-Chloro-N-cyclohexyl-N-methyl-2-pyrazinamine

Database IDs

• MDL Number: MFCD13561860
• PubChem SID: 162053179
• PubChem CID: 53410295

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8638926
• LogD (pH = 7.4): 2.8638947
• Log P: 2.8638947
• Molar Refractivity: 63.3666 cm^3
• Polarizability: 23.79096 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false