1-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-one

C17H13FN2O — CID 166213856

IUPAC1-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-one
SMILESO=c1cnc(-c2ccccc2)cn1Cc1ccccc1F
InChIInChI=1S/C17H13FN2O/c18-15-9-5-4-8-14(15)11-20-12-16(19-10-17(20)21)13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKeyGRVDATAOMYGQPJ-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.10
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-one

1-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-one (PubChem CID 166213856) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-one
PubChem CID166213856
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name1-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-one
SMILESO=c1cnc(-c2ccccc2)cn1Cc1ccccc1F
InChIInChI=1S/C17H13FN2O/c18-15-9-5-4-8-14(15)11-20-12-16(19-10-17(20)21)13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKeyGRVDATAOMYGQPJ-UHFFFAOYSA-N
XLogP3.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-one (CID 166213856) is 1-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-one is O=c1cnc(-c2ccccc2)cn1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-one?
The InChIKey is GRVDATAOMYGQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c18-15-9-5-4-8-14(15)11-20-12-16(19-10-17(20)21)13-6-2-1-3-7-13/h1-10,12H,11H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-one?
1-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-one has a molecular weight of 280.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-one is sourced from PubChem (CID 166213856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).