5,6-diethyl-1-(2-hydroxyethyl)-3-propylpyrazin-2-one

C13H22N2O2 — CID 14881178

IUPAC5,6-diethyl-1-(2-hydroxyethyl)-3-propylpyrazin-2-one
SMILESCCCc1nc(CC)c(CC)n(CCO)c1=O
InChIInChI=1S/C13H22N2O2/c1-4-7-11-13(17)15(8-9-16)12(6-3)10(5-2)14-11/h16H,4-9H2,1-3H3
InChIKeyTYVIMUWGUSVGPU-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.31
Rot. Bonds6

About 5,6-diethyl-1-(2-hydroxyethyl)-3-propylpyrazin-2-one

5,6-diethyl-1-(2-hydroxyethyl)-3-propylpyrazin-2-one (PubChem CID 14881178) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5,6-diethyl-1-(2-hydroxyethyl)-3-propylpyrazin-2-one.

Molecular Properties

Compound Name5,6-diethyl-1-(2-hydroxyethyl)-3-propylpyrazin-2-one
PubChem CID14881178
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name5,6-diethyl-1-(2-hydroxyethyl)-3-propylpyrazin-2-one
SMILESCCCc1nc(CC)c(CC)n(CCO)c1=O
InChIInChI=1S/C13H22N2O2/c1-4-7-11-13(17)15(8-9-16)12(6-3)10(5-2)14-11/h16H,4-9H2,1-3H3
InChIKeyTYVIMUWGUSVGPU-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-1-(2-hydroxyethyl)-3-propylpyrazin-2-one?
The IUPAC name of 5,6-diethyl-1-(2-hydroxyethyl)-3-propylpyrazin-2-one (CID 14881178) is 5,6-diethyl-1-(2-hydroxyethyl)-3-propylpyrazin-2-one.
What is the SMILES notation for 5,6-diethyl-1-(2-hydroxyethyl)-3-propylpyrazin-2-one?
The canonical SMILES for 5,6-diethyl-1-(2-hydroxyethyl)-3-propylpyrazin-2-one is CCCc1nc(CC)c(CC)n(CCO)c1=O.
What is the InChIKey of 5,6-diethyl-1-(2-hydroxyethyl)-3-propylpyrazin-2-one?
The InChIKey is TYVIMUWGUSVGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-7-11-13(17)15(8-9-16)12(6-3)10(5-2)14-11/h16H,4-9H2,1-3H3.
What are the key properties of 5,6-diethyl-1-(2-hydroxyethyl)-3-propylpyrazin-2-one?
5,6-diethyl-1-(2-hydroxyethyl)-3-propylpyrazin-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-1-(2-hydroxyethyl)-3-propylpyrazin-2-one is sourced from PubChem (CID 14881178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).