3,5-dichloro-1-(2-phenylethyl)pyrazin-2-one

C12H10Cl2N2O — CID 15733301

IUPAC3,5-dichloro-1-(2-phenylethyl)pyrazin-2-one
SMILESO=c1c(Cl)nc(Cl)cn1CCc1ccccc1
InChIInChI=1S/C12H10Cl2N2O/c13-10-8-16(12(17)11(14)15-10)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyNFXCHNJDDAGZNL-UHFFFAOYSA-N
MW269.13 g/mol
LogP2.79
Rot. Bonds3

About 3,5-dichloro-1-(2-phenylethyl)pyrazin-2-one

3,5-dichloro-1-(2-phenylethyl)pyrazin-2-one (PubChem CID 15733301) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 3,5-dichloro-1-(2-phenylethyl)pyrazin-2-one.

Molecular Properties

Compound Name3,5-dichloro-1-(2-phenylethyl)pyrazin-2-one
PubChem CID15733301
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name3,5-dichloro-1-(2-phenylethyl)pyrazin-2-one
SMILESO=c1c(Cl)nc(Cl)cn1CCc1ccccc1
InChIInChI=1S/C12H10Cl2N2O/c13-10-8-16(12(17)11(14)15-10)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyNFXCHNJDDAGZNL-UHFFFAOYSA-N
XLogP2.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-(2-phenylethyl)pyrazin-2-one?
The IUPAC name of 3,5-dichloro-1-(2-phenylethyl)pyrazin-2-one (CID 15733301) is 3,5-dichloro-1-(2-phenylethyl)pyrazin-2-one.
What is the SMILES notation for 3,5-dichloro-1-(2-phenylethyl)pyrazin-2-one?
The canonical SMILES for 3,5-dichloro-1-(2-phenylethyl)pyrazin-2-one is O=c1c(Cl)nc(Cl)cn1CCc1ccccc1.
What is the InChIKey of 3,5-dichloro-1-(2-phenylethyl)pyrazin-2-one?
The InChIKey is NFXCHNJDDAGZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-10-8-16(12(17)11(14)15-10)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2.
What are the key properties of 3,5-dichloro-1-(2-phenylethyl)pyrazin-2-one?
3,5-dichloro-1-(2-phenylethyl)pyrazin-2-one has a molecular weight of 269.13 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-(2-phenylethyl)pyrazin-2-one is sourced from PubChem (CID 15733301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).