3-chloro-1,5-dimethylpyrazin-2-one

C6H7ClN2O — CID 146583561

IUPAC3-chloro-1,5-dimethylpyrazin-2-one
SMILESCc1cn(C)c(=O)c(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-4-3-9(2)6(10)5(7)8-4/h3H,1-2H3
InChIKeyLXFHXUQLYWHHTE-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.74
Rot. Bonds

About 3-chloro-1,5-dimethylpyrazin-2-one

3-chloro-1,5-dimethylpyrazin-2-one (PubChem CID 146583561) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 3-chloro-1,5-dimethylpyrazin-2-one.

Molecular Properties

Compound Name3-chloro-1,5-dimethylpyrazin-2-one
PubChem CID146583561
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name3-chloro-1,5-dimethylpyrazin-2-one
SMILESCc1cn(C)c(=O)c(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-4-3-9(2)6(10)5(7)8-4/h3H,1-2H3
InChIKeyLXFHXUQLYWHHTE-UHFFFAOYSA-N
XLogP0.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,5-dimethylpyrazin-2-one?
The IUPAC name of 3-chloro-1,5-dimethylpyrazin-2-one (CID 146583561) is 3-chloro-1,5-dimethylpyrazin-2-one.
What is the SMILES notation for 3-chloro-1,5-dimethylpyrazin-2-one?
The canonical SMILES for 3-chloro-1,5-dimethylpyrazin-2-one is Cc1cn(C)c(=O)c(Cl)n1.
What is the InChIKey of 3-chloro-1,5-dimethylpyrazin-2-one?
The InChIKey is LXFHXUQLYWHHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-4-3-9(2)6(10)5(7)8-4/h3H,1-2H3.
What are the key properties of 3-chloro-1,5-dimethylpyrazin-2-one?
3-chloro-1,5-dimethylpyrazin-2-one has a molecular weight of 158.59 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,5-dimethylpyrazin-2-one is sourced from PubChem (CID 146583561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).