1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one

C18H16ClN3O — CID 46337473

IUPAC1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
SMILESO=c1c(NCCc2ccccc2)nccn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c19-15-6-8-16(9-7-15)22-13-12-21-17(18(22)23)20-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,20,21)
InChIKeyATYVUXRVNWECEH-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.54
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one

1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one (PubChem CID 46337473) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
PubChem CID46337473
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
SMILESO=c1c(NCCc2ccccc2)nccn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c19-15-6-8-16(9-7-15)22-13-12-21-17(18(22)23)20-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,20,21)
InChIKeyATYVUXRVNWECEH-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one (CID 46337473) is 1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one is O=c1c(NCCc2ccccc2)nccn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one?
The InChIKey is ATYVUXRVNWECEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-15-6-8-16(9-7-15)22-13-12-21-17(18(22)23)20-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one?
1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one has a molecular weight of 325.80 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one is sourced from PubChem (CID 46337473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).