3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one

C12H12N2O2 — CID 106517368

IUPAC3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one
SMILESCOc1ccc(C)cc1-c1ncc[nH]c1=O
InChIInChI=1S/C12H12N2O2/c1-8-3-4-10(16-2)9(7-8)11-12(15)14-6-5-13-11/h3-7H,1-2H3,(H,14,15)
InChIKeyAZUMQRHHLYUJML-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.75
Rot. Bonds2

About 3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one

3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one (PubChem CID 106517368) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one
PubChem CID106517368
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one
SMILESCOc1ccc(C)cc1-c1ncc[nH]c1=O
InChIInChI=1S/C12H12N2O2/c1-8-3-4-10(16-2)9(7-8)11-12(15)14-6-5-13-11/h3-7H,1-2H3,(H,14,15)
InChIKeyAZUMQRHHLYUJML-UHFFFAOYSA-N
XLogP1.75
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenyl)-1H-pyrazin-2-one
CID 112558964
3-(3-methylphenyl)-1H-pyrazin-2-one
CID 112558965
N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 63564852
5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one
CID 82446377
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine
CID 82391060
3-(2-fluoro-5-methylphenoxy)-1H-pyrazin-2-one
CID 103241750
3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one
CID 114570848
5-(2-methoxy-5-methylphenyl)-1H-imidazol-4-amine
CID 82469801
3-(2-methoxy-5-methylphenyl)-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446389
4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136955594
3-(2-methoxy-5-methylphenyl)-1H-pyrrole-2-carboxylic acid
CID 82390676
3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
CID 106518527

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one (CID 106517368) is 3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one is COc1ccc(C)cc1-c1ncc[nH]c1=O.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one?
The InChIKey is AZUMQRHHLYUJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-3-4-10(16-2)9(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-methoxy-5-methylphenyl)-1H-pyrazin-2-one?
3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 106517368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).