1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one

C15H11ClFN3OS — CID 20941648

IUPAC1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one
SMILESO=c1c(NCc2cccs2)nccn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClFN3OS/c16-12-8-10(3-4-13(12)17)20-6-5-18-14(15(20)21)19-9-11-2-1-7-22-11/h1-8H,9H2,(H,18,19)
InChIKeyNHVLUGPCEJSDRR-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.70
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one

1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one (PubChem CID 20941648) has the molecular formula C15H11ClFN3OS and a molecular weight of 335.79 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one
PubChem CID20941648
Molecular FormulaC15H11ClFN3OS
Molecular Weight335.79 g/mol
Exact Mass335.03
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one
SMILESO=c1c(NCc2cccs2)nccn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClFN3OS/c16-12-8-10(3-4-13(12)17)20-6-5-18-14(15(20)21)19-9-11-2-1-7-22-11/h1-8H,9H2,(H,18,19)
InChIKeyNHVLUGPCEJSDRR-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzylamino)-1-(3-chloro-4-fluorophenyl)pyrazin-2-one
CID 46337507
1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
CID 46337513
1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one
CID 62939218
3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
CID 20941670
N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118361
3-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)pyrazin-2-one
CID 20941583
N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]furan-2-carboxamide
CID 53118353
3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one
CID 20941598
1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine
CID 106554381
3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-chlorophenyl)pyrazin-2-one
CID 46337475
1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 46337473
[1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine
CID 82287676

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one (CID 20941648) is 1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one is O=c1c(NCc2cccs2)nccn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one?
The InChIKey is NHVLUGPCEJSDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3OS/c16-12-8-10(3-4-13(12)17)20-6-5-18-14(15(20)21)19-9-11-2-1-7-22-11/h1-8H,9H2,(H,18,19).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one?
1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one has a molecular weight of 335.79 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one is sourced from PubChem (CID 20941648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).