3-(2,3,4-trifluorophenyl)-1H-pyrazin-2-one

C10H5F3N2O — CID 106517664

IUPAC3-(2,3,4-trifluorophenyl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1-c1ccc(F)c(F)c1F
InChIInChI=1S/C10H5F3N2O/c11-6-2-1-5(7(12)8(6)13)9-10(16)15-4-3-14-9/h1-4H,(H,15,16)
InChIKeyIOEZCIUROISHTC-UHFFFAOYSA-N
MW226.16 g/mol
LogP1.85
Rot. Bonds1

About 3-(2,3,4-trifluorophenyl)-1H-pyrazin-2-one

3-(2,3,4-trifluorophenyl)-1H-pyrazin-2-one (PubChem CID 106517664) has the molecular formula C10H5F3N2O and a molecular weight of 226.16 g/mol. Its IUPAC name is 3-(2,3,4-trifluorophenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2,3,4-trifluorophenyl)-1H-pyrazin-2-one
PubChem CID106517664
Molecular FormulaC10H5F3N2O
Molecular Weight226.16 g/mol
Exact Mass226.04
IUPAC Name3-(2,3,4-trifluorophenyl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1-c1ccc(F)c(F)c1F
InChIInChI=1S/C10H5F3N2O/c11-6-2-1-5(7(12)8(6)13)9-10(16)15-4-3-14-9/h1-4H,(H,15,16)
InChIKeyIOEZCIUROISHTC-UHFFFAOYSA-N
XLogP1.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-3-phenylpyrazine
CID 155966
3-(4-Fluoro-2-methylphenyl)-5,6-dihydropyrazin-2(1H)-one
CID 22037146
6-Methyl-3-phenylpyrazin-2(1H)-one
CID 12566001
5-chloro-3-phenyl-1H-pyrazin-2-one
CID 15498465
2-Hydroxy-3-phenyl-5-bromopyrazine
CID 20528924
3-Phenyl-5,6-dihydro-2(1h)-pyrazinone
CID 129875863
3-(2,4-Difluorophenyl)-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365505
3-(4-Fluorophenyl)-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365509
3-(2,4-Difluorophenyl)-1-methyl-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365512
3-(4-chloro-2-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one
CID 19365513
3-(4-Fluorophenyl)-1-methyl-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365516
3-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one
CID 19365523

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-trifluorophenyl)-1H-pyrazin-2-one?
The IUPAC name of 3-(2,3,4-trifluorophenyl)-1H-pyrazin-2-one (CID 106517664) is 3-(2,3,4-trifluorophenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2,3,4-trifluorophenyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(2,3,4-trifluorophenyl)-1H-pyrazin-2-one is O=c1[nH]ccnc1-c1ccc(F)c(F)c1F.
What is the InChIKey of 3-(2,3,4-trifluorophenyl)-1H-pyrazin-2-one?
The InChIKey is IOEZCIUROISHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O/c11-6-2-1-5(7(12)8(6)13)9-10(16)15-4-3-14-9/h1-4H,(H,15,16).
What are the key properties of 3-(2,3,4-trifluorophenyl)-1H-pyrazin-2-one?
3-(2,3,4-trifluorophenyl)-1H-pyrazin-2-one has a molecular weight of 226.16 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4-trifluorophenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 106517664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).