3,5-dichloro-6-ethyl-1-methylpyrazin-2-one

C7H8Cl2N2O — CID 13062967

IUPAC3,5-dichloro-6-ethyl-1-methylpyrazin-2-one
SMILESCCc1c(Cl)nc(Cl)c(=O)n1C
InChIInChI=1S/C7H8Cl2N2O/c1-3-4-5(8)10-6(9)7(12)11(4)2/h3H2,1-2H3
InChIKeyWVKDHZZLSOROTK-UHFFFAOYSA-N
MW207.06 g/mol
LogP1.65
Rot. Bonds1

About 3,5-dichloro-6-ethyl-1-methylpyrazin-2-one

3,5-dichloro-6-ethyl-1-methylpyrazin-2-one (PubChem CID 13062967) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 3,5-dichloro-6-ethyl-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3,5-dichloro-6-ethyl-1-methylpyrazin-2-one
PubChem CID13062967
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name3,5-dichloro-6-ethyl-1-methylpyrazin-2-one
SMILESCCc1c(Cl)nc(Cl)c(=O)n1C
InChIInChI=1S/C7H8Cl2N2O/c1-3-4-5(8)10-6(9)7(12)11(4)2/h3H2,1-2H3
InChIKeyWVKDHZZLSOROTK-UHFFFAOYSA-N
XLogP1.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-1-(1-ethylpropyl)-6-methyl-2(1H)-pyrazinone
CID 18452796
3,5-Dichloro-1-ethyl-6-methylpyrazin-2-one
CID 20641829
1-Butyl-3,5-dichloro-6-methylpyrazin-2-one
CID 44204004
3,5-Dichloro-1,6-dimethylpyrazin-2-one
CID 140995503
3-Chloro-1,5,6-trimethylpyrazin-2-one
CID 146565343
3-Chloro-5,6-dimethyl-1-propylpyrazin-2-one
CID 130735171
3-Chloro-1-ethyl-5,6-dimethylpyrazin-2-one
CID 130775787

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-ethyl-1-methylpyrazin-2-one?
The IUPAC name of 3,5-dichloro-6-ethyl-1-methylpyrazin-2-one (CID 13062967) is 3,5-dichloro-6-ethyl-1-methylpyrazin-2-one.
What is the SMILES notation for 3,5-dichloro-6-ethyl-1-methylpyrazin-2-one?
The canonical SMILES for 3,5-dichloro-6-ethyl-1-methylpyrazin-2-one is CCc1c(Cl)nc(Cl)c(=O)n1C.
What is the InChIKey of 3,5-dichloro-6-ethyl-1-methylpyrazin-2-one?
The InChIKey is WVKDHZZLSOROTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-3-4-5(8)10-6(9)7(12)11(4)2/h3H2,1-2H3.
What are the key properties of 3,5-dichloro-6-ethyl-1-methylpyrazin-2-one?
3,5-dichloro-6-ethyl-1-methylpyrazin-2-one has a molecular weight of 207.06 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-ethyl-1-methylpyrazin-2-one is sourced from PubChem (CID 13062967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).