3,5-dichloro-6-methyl-1-(2-oxoethenyl)pyrazin-2-one

C7H4Cl2N2O2 — CID 140995517

IUPAC3,5-dichloro-6-methyl-1-(2-oxoethenyl)pyrazin-2-one
SMILESCc1c(Cl)nc(Cl)c(=O)n1C=C=O
InChIInChI=1S/C7H4Cl2N2O2/c1-4-5(8)10-6(9)7(13)11(4)2-3-12/h2H,1H3
InChIKeySXIAAFGHKZHVRE-UHFFFAOYSA-N
MW219.03 g/mol
LogP1.16
Rot. Bonds1

About 3,5-dichloro-6-methyl-1-(2-oxoethenyl)pyrazin-2-one

3,5-dichloro-6-methyl-1-(2-oxoethenyl)pyrazin-2-one (PubChem CID 140995517) has the molecular formula C7H4Cl2N2O2 and a molecular weight of 219.03 g/mol. Its IUPAC name is 3,5-dichloro-6-methyl-1-(2-oxoethenyl)pyrazin-2-one.

Molecular Properties

Compound Name3,5-dichloro-6-methyl-1-(2-oxoethenyl)pyrazin-2-one
PubChem CID140995517
Molecular FormulaC7H4Cl2N2O2
Molecular Weight219.03 g/mol
Exact Mass217.96
IUPAC Name3,5-dichloro-6-methyl-1-(2-oxoethenyl)pyrazin-2-one
SMILESCc1c(Cl)nc(Cl)c(=O)n1C=C=O
InChIInChI=1S/C7H4Cl2N2O2/c1-4-5(8)10-6(9)7(13)11(4)2-3-12/h2H,1H3
InChIKeySXIAAFGHKZHVRE-UHFFFAOYSA-N
XLogP1.16
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.03
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

3,5-Dichloro-1-ethyl-6-methylpyrazin-2-one
CID 20641829
3,5-dichloro-1-ethylpyrazin-2(1H)-one
CID 20678805
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-1,5-dimethylpyrazin-2-one
CID 146583561
3,5-Dichloro-1-ethylpyrazin-2-one;vanadium
CID 159153644
3,5-Dichloro-1-propylpyrazin-2(1H)-one
CID 97180451
3,5-Dichloro-1-isopropylpyrazin-2(1H)-one
CID 102534425
3-Chloro-1-ethyl-5,6-dimethylpyrazin-2-one
CID 130775787

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-methyl-1-(2-oxoethenyl)pyrazin-2-one?
The IUPAC name of 3,5-dichloro-6-methyl-1-(2-oxoethenyl)pyrazin-2-one (CID 140995517) is 3,5-dichloro-6-methyl-1-(2-oxoethenyl)pyrazin-2-one.
What is the SMILES notation for 3,5-dichloro-6-methyl-1-(2-oxoethenyl)pyrazin-2-one?
The canonical SMILES for 3,5-dichloro-6-methyl-1-(2-oxoethenyl)pyrazin-2-one is Cc1c(Cl)nc(Cl)c(=O)n1C=C=O.
What is the InChIKey of 3,5-dichloro-6-methyl-1-(2-oxoethenyl)pyrazin-2-one?
The InChIKey is SXIAAFGHKZHVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2O2/c1-4-5(8)10-6(9)7(13)11(4)2-3-12/h2H,1H3.
What are the key properties of 3,5-dichloro-6-methyl-1-(2-oxoethenyl)pyrazin-2-one?
3,5-dichloro-6-methyl-1-(2-oxoethenyl)pyrazin-2-one has a molecular weight of 219.03 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-methyl-1-(2-oxoethenyl)pyrazin-2-one is sourced from PubChem (CID 140995517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).