3,5-dichloro-6-methyl-1-pentan-3-ylpyrazin-2-one

C10H14Cl2N2O — CID 18452796

IUPAC3,5-dichloro-6-methyl-1-pentan-3-ylpyrazin-2-one
SMILESCCC(CC)n1c(C)c(Cl)nc(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O/c1-4-7(5-2)14-6(3)8(11)13-9(12)10(14)15/h7H,4-5H2,1-3H3
InChIKeyGNRUHCZKOHBIRJ-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.22
Rot. Bonds3

About 3,5-dichloro-6-methyl-1-pentan-3-ylpyrazin-2-one

3,5-dichloro-6-methyl-1-pentan-3-ylpyrazin-2-one (PubChem CID 18452796) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 3,5-dichloro-6-methyl-1-pentan-3-ylpyrazin-2-one.

Molecular Properties

Compound Name3,5-dichloro-6-methyl-1-pentan-3-ylpyrazin-2-one
PubChem CID18452796
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name3,5-dichloro-6-methyl-1-pentan-3-ylpyrazin-2-one
SMILESCCC(CC)n1c(C)c(Cl)nc(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O/c1-4-7(5-2)14-6(3)8(11)13-9(12)10(14)15/h7H,4-5H2,1-3H3
InChIKeyGNRUHCZKOHBIRJ-UHFFFAOYSA-N
XLogP3.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-6-methyl-1-pentan-3-ylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-methyl-1-pentan-3-ylpyrazin-2-one?
The IUPAC name of 3,5-dichloro-6-methyl-1-pentan-3-ylpyrazin-2-one (CID 18452796) is 3,5-dichloro-6-methyl-1-pentan-3-ylpyrazin-2-one.
What is the SMILES notation for 3,5-dichloro-6-methyl-1-pentan-3-ylpyrazin-2-one?
The canonical SMILES for 3,5-dichloro-6-methyl-1-pentan-3-ylpyrazin-2-one is CCC(CC)n1c(C)c(Cl)nc(Cl)c1=O.
What is the InChIKey of 3,5-dichloro-6-methyl-1-pentan-3-ylpyrazin-2-one?
The InChIKey is GNRUHCZKOHBIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O/c1-4-7(5-2)14-6(3)8(11)13-9(12)10(14)15/h7H,4-5H2,1-3H3.
What are the key properties of 3,5-dichloro-6-methyl-1-pentan-3-ylpyrazin-2-one?
3,5-dichloro-6-methyl-1-pentan-3-ylpyrazin-2-one has a molecular weight of 249.14 g/mol, XLogP of 3.22, 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-methyl-1-pentan-3-ylpyrazin-2-one is sourced from PubChem (CID 18452796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).