3,5-dichloro-6-phenyl-1-propylpyrazin-2-one

C13H12Cl2N2O — CID 102534412

IUPAC3,5-dichloro-6-phenyl-1-propylpyrazin-2-one
SMILESCCCn1c(-c2ccccc2)c(Cl)nc(Cl)c1=O
InChIInChI=1S/C13H12Cl2N2O/c1-2-8-17-10(9-6-4-3-5-7-9)11(14)16-12(15)13(17)18/h3-7H,2,8H2,1H3
InChIKeyJYVNAYZNYPKTDD-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.63
Rot. Bonds3

About 3,5-dichloro-6-phenyl-1-propylpyrazin-2-one

3,5-dichloro-6-phenyl-1-propylpyrazin-2-one (PubChem CID 102534412) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 3,5-dichloro-6-phenyl-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3,5-dichloro-6-phenyl-1-propylpyrazin-2-one
PubChem CID102534412
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name3,5-dichloro-6-phenyl-1-propylpyrazin-2-one
SMILESCCCn1c(-c2ccccc2)c(Cl)nc(Cl)c1=O
InChIInChI=1S/C13H12Cl2N2O/c1-2-8-17-10(9-6-4-3-5-7-9)11(14)16-12(15)13(17)18/h3-7H,2,8H2,1H3
InChIKeyJYVNAYZNYPKTDD-UHFFFAOYSA-N
XLogP3.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one
CID 45271497
2,3,5,6-tetraphenyl-1-propylpyridin-4-one
CID 73057320
2-[5-chloro-2-oxo-6-phenyl-3-(propylamino)pyrazin-1-yl]acetic acid
CID 10980192
5-chloro-1-(2-methylbutyl)-6-phenyl-3-pyridin-2-ylpyrazin-2-one;ethane
CID 90992915
3-methyl-2,6-diphenyl-1-propylpyridin-4-one
CID 14517569
3-phenyl-2-propylisoquinolin-1-one
CID 102338692
3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane
CID 143080552
benzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate
CID 11015392
benzyl 2-[3,5-dichloro-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate
CID 11079983
benzyl 2-[3,5-dichloro-2-[3-(methylamino)phenyl]-6-oxopyrazin-1-yl]acetate
CID 10895027
3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one
CID 13062966
2-anilino-3-propylquinazolin-4-one
CID 10901968

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-phenyl-1-propylpyrazin-2-one?
The IUPAC name of 3,5-dichloro-6-phenyl-1-propylpyrazin-2-one (CID 102534412) is 3,5-dichloro-6-phenyl-1-propylpyrazin-2-one.
What is the SMILES notation for 3,5-dichloro-6-phenyl-1-propylpyrazin-2-one?
The canonical SMILES for 3,5-dichloro-6-phenyl-1-propylpyrazin-2-one is CCCn1c(-c2ccccc2)c(Cl)nc(Cl)c1=O.
What is the InChIKey of 3,5-dichloro-6-phenyl-1-propylpyrazin-2-one?
The InChIKey is JYVNAYZNYPKTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-2-8-17-10(9-6-4-3-5-7-9)11(14)16-12(15)13(17)18/h3-7H,2,8H2,1H3.
What are the key properties of 3,5-dichloro-6-phenyl-1-propylpyrazin-2-one?
3,5-dichloro-6-phenyl-1-propylpyrazin-2-one has a molecular weight of 283.16 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-phenyl-1-propylpyrazin-2-one is sourced from PubChem (CID 102534412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).