3-benzyl-5-(2,6-difluorophenyl)-1H-pyrazin-2-one

C17H12F2N2O — CID 135364603

IUPAC3-benzyl-5-(2,6-difluorophenyl)-1H-pyrazin-2-one
SMILESO=c1[nH]cc(-c2c(F)cccc2F)nc1Cc1ccccc1
InChIInChI=1S/C17H12F2N2O/c18-12-7-4-8-13(19)16(12)15-10-20-17(22)14(21-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,22)
InChIKeyMJSLCWRKQOYDKC-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.31
Rot. Bonds3

About 3-benzyl-5-(2,6-difluorophenyl)-1H-pyrazin-2-one

3-benzyl-5-(2,6-difluorophenyl)-1H-pyrazin-2-one (PubChem CID 135364603) has the molecular formula C17H12F2N2O and a molecular weight of 298.29 g/mol. Its IUPAC name is 3-benzyl-5-(2,6-difluorophenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-benzyl-5-(2,6-difluorophenyl)-1H-pyrazin-2-one
PubChem CID135364603
Molecular FormulaC17H12F2N2O
Molecular Weight298.29 g/mol
Exact Mass298.09
IUPAC Name3-benzyl-5-(2,6-difluorophenyl)-1H-pyrazin-2-one
SMILESO=c1[nH]cc(-c2c(F)cccc2F)nc1Cc1ccccc1
InChIInChI=1S/C17H12F2N2O/c18-12-7-4-8-13(19)16(12)15-10-20-17(22)14(21-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,22)
InChIKeyMJSLCWRKQOYDKC-UHFFFAOYSA-N
XLogP3.31
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2,6-difluorophenyl)-1H-pyrazin-2-one?
The IUPAC name of 3-benzyl-5-(2,6-difluorophenyl)-1H-pyrazin-2-one (CID 135364603) is 3-benzyl-5-(2,6-difluorophenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-benzyl-5-(2,6-difluorophenyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-benzyl-5-(2,6-difluorophenyl)-1H-pyrazin-2-one is O=c1[nH]cc(-c2c(F)cccc2F)nc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(2,6-difluorophenyl)-1H-pyrazin-2-one?
The InChIKey is MJSLCWRKQOYDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O/c18-12-7-4-8-13(19)16(12)15-10-20-17(22)14(21-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,22).
What are the key properties of 3-benzyl-5-(2,6-difluorophenyl)-1H-pyrazin-2-one?
3-benzyl-5-(2,6-difluorophenyl)-1H-pyrazin-2-one has a molecular weight of 298.29 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(2,6-difluorophenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 135364603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).