3-(4-ethoxyphenoxy)-1H-pyrazin-2-one

C12H12N2O3 — CID 103240950

IUPAC3-(4-ethoxyphenoxy)-1H-pyrazin-2-one
SMILESCCOc1ccc(Oc2ncc[nH]c2=O)cc1
InChIInChI=1S/C12H12N2O3/c1-2-16-9-3-5-10(6-4-9)17-12-11(15)13-7-8-14-12/h3-8H,2H2,1H3,(H,13,15)
InChIKeyJEQVOQOFTAJYJB-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.96
Rot. Bonds4

About 3-(4-ethoxyphenoxy)-1H-pyrazin-2-one

3-(4-ethoxyphenoxy)-1H-pyrazin-2-one (PubChem CID 103240950) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(4-ethoxyphenoxy)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-ethoxyphenoxy)-1H-pyrazin-2-one
PubChem CID103240950
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(4-ethoxyphenoxy)-1H-pyrazin-2-one
SMILESCCOc1ccc(Oc2ncc[nH]c2=O)cc1
InChIInChI=1S/C12H12N2O3/c1-2-16-9-3-5-10(6-4-9)17-12-11(15)13-7-8-14-12/h3-8H,2H2,1H3,(H,13,15)
InChIKeyJEQVOQOFTAJYJB-UHFFFAOYSA-N
XLogP1.96
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenoxy)-1H-pyrazin-2-one?
The IUPAC name of 3-(4-ethoxyphenoxy)-1H-pyrazin-2-one (CID 103240950) is 3-(4-ethoxyphenoxy)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-ethoxyphenoxy)-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-ethoxyphenoxy)-1H-pyrazin-2-one is CCOc1ccc(Oc2ncc[nH]c2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenoxy)-1H-pyrazin-2-one?
The InChIKey is JEQVOQOFTAJYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-16-9-3-5-10(6-4-9)17-12-11(15)13-7-8-14-12/h3-8H,2H2,1H3,(H,13,15).
What are the key properties of 3-(4-ethoxyphenoxy)-1H-pyrazin-2-one?
3-(4-ethoxyphenoxy)-1H-pyrazin-2-one has a molecular weight of 232.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenoxy)-1H-pyrazin-2-one is sourced from PubChem (CID 103240950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).