3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one

C12H11ClN2O — CID 106515481

IUPAC3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one
SMILESCc1nc(-c2ccccc2Cl)c(=O)[nH]c1C
InChIInChI=1S/C12H11ClN2O/c1-7-8(2)15-12(16)11(14-7)9-5-3-4-6-10(9)13/h3-6H,1-2H3,(H,15,16)
InChIKeyOFUBYBKVNUWNOB-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.71
Rot. Bonds1

About 3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one

3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one (PubChem CID 106515481) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one
PubChem CID106515481
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one
SMILESCc1nc(-c2ccccc2Cl)c(=O)[nH]c1C
InChIInChI=1S/C12H11ClN2O/c1-7-8(2)15-12(16)11(14-7)9-5-3-4-6-10(9)13/h3-6H,1-2H3,(H,15,16)
InChIKeyOFUBYBKVNUWNOB-UHFFFAOYSA-N
XLogP2.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid
CID 105498309
3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106518634
2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764407
5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one
CID 106513767
6-(2-chlorophenyl)-3-[3-[6-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-4H-1,2,4-triazin-5-one
CID 135493728
5-(2-chlorophenyl)-6-methyl-1H-pyrimidin-2-one
CID 142606742
5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 117260757
5-(2-chlorophenyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47007159
4-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 105499892
2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 80663741
4-(2-chlorophenyl)-2,5-dimethyl-1,3-thiazole
CID 18342389
2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136987470

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one (CID 106515481) is 3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one is Cc1nc(-c2ccccc2Cl)c(=O)[nH]c1C.
What is the InChIKey of 3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one?
The InChIKey is OFUBYBKVNUWNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-7-8(2)15-12(16)11(14-7)9-5-3-4-6-10(9)13/h3-6H,1-2H3,(H,15,16).
What are the key properties of 3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one?
3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one has a molecular weight of 234.69 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one is sourced from PubChem (CID 106515481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).