3-(2,4-dimethylphenyl)-1H-pyrazin-2-one

C12H12N2O — CID 112558964

IUPAC3-(2,4-dimethylphenyl)-1H-pyrazin-2-one
SMILESCc1ccc(-c2ncc[nH]c2=O)c(C)c1
InChIInChI=1S/C12H12N2O/c1-8-3-4-10(9(2)7-8)11-12(15)14-6-5-13-11/h3-7H,1-2H3,(H,14,15)
InChIKeyRQMLSQNRMDTAMJ-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.05
Rot. Bonds1

About 3-(2,4-dimethylphenyl)-1H-pyrazin-2-one

3-(2,4-dimethylphenyl)-1H-pyrazin-2-one (PubChem CID 112558964) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-1H-pyrazin-2-one
PubChem CID112558964
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-(2,4-dimethylphenyl)-1H-pyrazin-2-one
SMILESCc1ccc(-c2ncc[nH]c2=O)c(C)c1
InChIInChI=1S/C12H12N2O/c1-8-3-4-10(9(2)7-8)11-12(15)14-6-5-13-11/h3-7H,1-2H3,(H,14,15)
InChIKeyRQMLSQNRMDTAMJ-UHFFFAOYSA-N
XLogP2.05
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-1H-pyrazin-2-one?
The IUPAC name of 3-(2,4-dimethylphenyl)-1H-pyrazin-2-one (CID 112558964) is 3-(2,4-dimethylphenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(2,4-dimethylphenyl)-1H-pyrazin-2-one is Cc1ccc(-c2ncc[nH]c2=O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-1H-pyrazin-2-one?
The InChIKey is RQMLSQNRMDTAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-3-4-10(9(2)7-8)11-12(15)14-6-5-13-11/h3-7H,1-2H3,(H,14,15).
What are the key properties of 3-(2,4-dimethylphenyl)-1H-pyrazin-2-one?
3-(2,4-dimethylphenyl)-1H-pyrazin-2-one has a molecular weight of 200.24 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 112558964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).