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

C8H8Cl2N2O2 — CID 18726912

IUPAC3,5-dichloro-6-methyl-1-(2-oxopropyl)pyrazin-2-one
SMILESCC(=O)Cn1c(C)c(Cl)nc(Cl)c1=O
InChIInChI=1S/C8H8Cl2N2O2/c1-4(13)3-12-5(2)6(9)11-7(10)8(12)14/h3H2,1-2H3
InChIKeyCKSUANSGMBGZIO-UHFFFAOYSA-N
MW235.07 g/mol
LogP1.45
Rot. Bonds2

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

3,5-dichloro-6-methyl-1-(2-oxopropyl)pyrazin-2-one (PubChem CID 18726912) has the molecular formula C8H8Cl2N2O2 and a molecular weight of 235.07 g/mol. Its IUPAC name is 3,5-dichloro-6-methyl-1-(2-oxopropyl)pyrazin-2-one.

Molecular Properties

Compound Name3,5-dichloro-6-methyl-1-(2-oxopropyl)pyrazin-2-one
PubChem CID18726912
Molecular FormulaC8H8Cl2N2O2
Molecular Weight235.07 g/mol
Exact Mass234.00
IUPAC Name3,5-dichloro-6-methyl-1-(2-oxopropyl)pyrazin-2-one
SMILESCC(=O)Cn1c(C)c(Cl)nc(Cl)c1=O
InChIInChI=1S/C8H8Cl2N2O2/c1-4(13)3-12-5(2)6(9)11-7(10)8(12)14/h3H2,1-2H3
InChIKeyCKSUANSGMBGZIO-UHFFFAOYSA-N
XLogP1.45
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-methyl-1-(2-oxopropyl)pyrazin-2-one?
The IUPAC name of 3,5-dichloro-6-methyl-1-(2-oxopropyl)pyrazin-2-one (CID 18726912) is 3,5-dichloro-6-methyl-1-(2-oxopropyl)pyrazin-2-one.
What is the SMILES notation for 3,5-dichloro-6-methyl-1-(2-oxopropyl)pyrazin-2-one?
The canonical SMILES for 3,5-dichloro-6-methyl-1-(2-oxopropyl)pyrazin-2-one is CC(=O)Cn1c(C)c(Cl)nc(Cl)c1=O.
What is the InChIKey of 3,5-dichloro-6-methyl-1-(2-oxopropyl)pyrazin-2-one?
The InChIKey is CKSUANSGMBGZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2/c1-4(13)3-12-5(2)6(9)11-7(10)8(12)14/h3H2,1-2H3.
What are the key properties of 3,5-dichloro-6-methyl-1-(2-oxopropyl)pyrazin-2-one?
3,5-dichloro-6-methyl-1-(2-oxopropyl)pyrazin-2-one has a molecular weight of 235.07 g/mol, XLogP of 1.45, 2 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-oxopropyl)pyrazin-2-one is sourced from PubChem (CID 18726912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).