5-chloro-6-methyl-1,3-diphenylpyrazin-2-one

C17H13ClN2O — CID 10494194

IUPAC5-chloro-6-methyl-1,3-diphenylpyrazin-2-one
SMILESCc1c(Cl)nc(-c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C17H13ClN2O/c1-12-16(18)19-15(13-8-4-2-5-9-13)17(21)20(12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyYDTMPJVMDGCUSV-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.86
Rot. Bonds2

About 5-chloro-6-methyl-1,3-diphenylpyrazin-2-one

5-chloro-6-methyl-1,3-diphenylpyrazin-2-one (PubChem CID 10494194) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-chloro-6-methyl-1,3-diphenylpyrazin-2-one.

Molecular Properties

Compound Name5-chloro-6-methyl-1,3-diphenylpyrazin-2-one
PubChem CID10494194
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name5-chloro-6-methyl-1,3-diphenylpyrazin-2-one
SMILESCc1c(Cl)nc(-c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C17H13ClN2O/c1-12-16(18)19-15(13-8-4-2-5-9-13)17(21)20(12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyYDTMPJVMDGCUSV-UHFFFAOYSA-N
XLogP3.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-1,3-diphenylpyrazin-2-one?
The IUPAC name of 5-chloro-6-methyl-1,3-diphenylpyrazin-2-one (CID 10494194) is 5-chloro-6-methyl-1,3-diphenylpyrazin-2-one.
What is the SMILES notation for 5-chloro-6-methyl-1,3-diphenylpyrazin-2-one?
The canonical SMILES for 5-chloro-6-methyl-1,3-diphenylpyrazin-2-one is Cc1c(Cl)nc(-c2ccccc2)c(=O)n1-c1ccccc1.
What is the InChIKey of 5-chloro-6-methyl-1,3-diphenylpyrazin-2-one?
The InChIKey is YDTMPJVMDGCUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-12-16(18)19-15(13-8-4-2-5-9-13)17(21)20(12)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of 5-chloro-6-methyl-1,3-diphenylpyrazin-2-one?
5-chloro-6-methyl-1,3-diphenylpyrazin-2-one has a molecular weight of 296.76 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-1,3-diphenylpyrazin-2-one is sourced from PubChem (CID 10494194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).