3-benzyl-5-(2-fluorophenyl)-1H-pyrazin-2-one

C17H13FN2O — CID 135364780

IUPAC3-benzyl-5-(2-fluorophenyl)-1H-pyrazin-2-one
SMILESO=c1[nH]cc(-c2ccccc2F)nc1Cc1ccccc1
InChIInChI=1S/C17H13FN2O/c18-14-9-5-4-8-13(14)16-11-19-17(21)15(20-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,21)
InChIKeyHDLNUCLIRIOGJB-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.17
Rot. Bonds3

About 3-benzyl-5-(2-fluorophenyl)-1H-pyrazin-2-one

3-benzyl-5-(2-fluorophenyl)-1H-pyrazin-2-one (PubChem CID 135364780) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-benzyl-5-(2-fluorophenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-benzyl-5-(2-fluorophenyl)-1H-pyrazin-2-one
PubChem CID135364780
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name3-benzyl-5-(2-fluorophenyl)-1H-pyrazin-2-one
SMILESO=c1[nH]cc(-c2ccccc2F)nc1Cc1ccccc1
InChIInChI=1S/C17H13FN2O/c18-14-9-5-4-8-13(14)16-11-19-17(21)15(20-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,21)
InChIKeyHDLNUCLIRIOGJB-UHFFFAOYSA-N
XLogP3.17
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Diphenyl-2-pyrazinol
CID 619181
2-Hydroxy-3-phenylpyrazine
CID 155966
1-hydroxy-3,5-diphenyl-2(1H)-pyrazinone
CID 1483278
3-Benzyl-5-phenylpyrazin-2(1H)-one
CID 72163591
6-methyl-4-[4-(methylaminomethyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one
CID 169429080
3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one
CID 1512543
3-methyl-5-phenylpyrazin-2(1H)-one
CID 11367436
3-Benzyl-1-hydroxy-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one
CID 18435596
3-Benzyl-5-(4-fluorophenyl)-1-hydroxypyrazin-2-one
CID 18435600
5-(4-Fluorophenyl)-1-hydroxy-3-[(4-phenylphenyl)methyl]pyrazin-2-one
CID 18435607
N-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide
CID 18607993
3-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one
CID 19365523

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2-fluorophenyl)-1H-pyrazin-2-one?
The IUPAC name of 3-benzyl-5-(2-fluorophenyl)-1H-pyrazin-2-one (CID 135364780) is 3-benzyl-5-(2-fluorophenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-benzyl-5-(2-fluorophenyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-benzyl-5-(2-fluorophenyl)-1H-pyrazin-2-one is O=c1[nH]cc(-c2ccccc2F)nc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(2-fluorophenyl)-1H-pyrazin-2-one?
The InChIKey is HDLNUCLIRIOGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c18-14-9-5-4-8-13(14)16-11-19-17(21)15(20-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,21).
What are the key properties of 3-benzyl-5-(2-fluorophenyl)-1H-pyrazin-2-one?
3-benzyl-5-(2-fluorophenyl)-1H-pyrazin-2-one has a molecular weight of 280.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(2-fluorophenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 135364780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).