3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one

C13H12Cl2N2O2 — CID 45271497

IUPAC3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one
SMILESCOCCn1c(-c2ccccc2)c(Cl)nc(Cl)c1=O
InChIInChI=1S/C13H12Cl2N2O2/c1-19-8-7-17-10(9-5-3-2-4-6-9)11(14)16-12(15)13(17)18/h2-6H,7-8H2,1H3
InChIKeyJPVZHIHMKGSVAJ-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.86
Rot. Bonds4

About 3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one

3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one (PubChem CID 45271497) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one.

Molecular Properties

Compound Name3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one
PubChem CID45271497
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one
SMILESCOCCn1c(-c2ccccc2)c(Cl)nc(Cl)c1=O
InChIInChI=1S/C13H12Cl2N2O2/c1-19-8-7-17-10(9-5-3-2-4-6-9)11(14)16-12(15)13(17)18/h2-6H,7-8H2,1H3
InChIKeyJPVZHIHMKGSVAJ-UHFFFAOYSA-N
XLogP2.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pethoxamid
CID 6450826
1-benzyl-3,5-dichloropyrazin-2(1H)-one
CID 11299805
1,6-Dibenzyl-3,5-dichloropyrazin-2-one
CID 11791778
1-benzyl-3,5-dichloro-6-methylpyrazin-2(1H)-one
CID 15424151
6-Benzyl-3,5-dichloro-1-(2-methoxyethyl)pyrazin-2-one
CID 172436555
2(1H)-Pyrazinone, 3,5-dichloro-6-phenyl-1-(phenylmethyl)-
CID 849390
2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
CID 13825382
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-pentoxyethyl)acetamide
CID 15137858
N-(2-Ethoxyethyl)-N-(2-methyl-1-phenylprop-1-en-1-yl)acetamide
CID 59991750
2-chloro-N-(2-methoxyethyl)-N-(1-phenylethenyl)acetamide
CID 13825389
2-chloro-N-(3-methoxypropyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
CID 13825401
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-prop-2-ynoxyethyl)acetamide
CID 14229850

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one?
The IUPAC name of 3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one (CID 45271497) is 3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one.
What is the SMILES notation for 3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one?
The canonical SMILES for 3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one is COCCn1c(-c2ccccc2)c(Cl)nc(Cl)c1=O.
What is the InChIKey of 3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one?
The InChIKey is JPVZHIHMKGSVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-19-8-7-17-10(9-5-3-2-4-6-9)11(14)16-12(15)13(17)18/h2-6H,7-8H2,1H3.
What are the key properties of 3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one?
3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one has a molecular weight of 299.16 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one is sourced from PubChem (CID 45271497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).