3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one

C17H13ClN2O — CID 135364652

IUPAC3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one
SMILESO=c1[nH]cc(-c2ccccc2)nc1Cc1ccccc1Cl
InChIInChI=1S/C17H13ClN2O/c18-14-9-5-4-8-13(14)10-15-17(21)19-11-16(20-15)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,21)
InChIKeyGAFCLMJVYCJRKV-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.68
Rot. Bonds3

About 3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one

3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one (PubChem CID 135364652) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one
PubChem CID135364652
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one
SMILESO=c1[nH]cc(-c2ccccc2)nc1Cc1ccccc1Cl
InChIInChI=1S/C17H13ClN2O/c18-14-9-5-4-8-13(14)10-15-17(21)19-11-16(20-15)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,21)
InChIKeyGAFCLMJVYCJRKV-UHFFFAOYSA-N
XLogP3.68
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one (CID 135364652) is 3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one is O=c1[nH]cc(-c2ccccc2)nc1Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one?
The InChIKey is GAFCLMJVYCJRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-14-9-5-4-8-13(14)10-15-17(21)19-11-16(20-15)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,21).
What are the key properties of 3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one?
3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one has a molecular weight of 296.76 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one is sourced from PubChem (CID 135364652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).