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

C18H16ClN3O — CID 20941589

IUPAC1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
SMILESO=c1c(NCCc2ccccc2)nccn1-c1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O/c19-15-7-4-8-16(13-15)22-12-11-21-17(18(22)23)20-10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,20,21)
InChIKeySYRRGONKVVZFQM-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.54
Rot. Bonds5

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

1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one (PubChem CID 20941589) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
PubChem CID20941589
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
SMILESO=c1c(NCCc2ccccc2)nccn1-c1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O/c19-15-7-4-8-16(13-15)22-12-11-21-17(18(22)23)20-10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,20,21)
InChIKeySYRRGONKVVZFQM-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

Analyze 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-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

Related Compounds

1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 46337473
4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941591
3-(benzylamino)-1-(3-chloro-4-fluorophenyl)pyrazin-2-one
CID 46337507
4-[2-[[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 8721605
3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one
CID 20941702
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one
CID 20941622
3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one
CID 20941608
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964
1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one
CID 18591923
3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one
CID 20941598
3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
CID 20941670
1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
CID 46337513

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one (CID 20941589) is 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one is O=c1c(NCCc2ccccc2)nccn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one?
The InChIKey is SYRRGONKVVZFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-15-7-4-8-16(13-15)22-12-11-21-17(18(22)23)20-10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,20,21).
What are the key properties of 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one?
1-(3-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-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one is sourced from PubChem (CID 20941589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).