3-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one

C10H16N2O2S — CID 62927950

IUPAC3-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(SCCO)c1=O
InChIInChI=1S/C10H16N2O2S/c1-8(2)7-12-4-3-11-9(10(12)14)15-6-5-13/h3-4,8,13H,5-7H2,1-2H3
InChIKeyOGGWWTBDVHXZGK-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.98
Rot. Bonds5

About 3-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one

3-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62927950) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62927950
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(SCCO)c1=O
InChIInChI=1S/C10H16N2O2S/c1-8(2)7-12-4-3-11-9(10(12)14)15-6-5-13/h3-4,8,13H,5-7H2,1-2H3
InChIKeyOGGWWTBDVHXZGK-UHFFFAOYSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one (CID 62927950) is 3-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(SCCO)c1=O.
What is the InChIKey of 3-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is OGGWWTBDVHXZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8(2)7-12-4-3-11-9(10(12)14)15-6-5-13/h3-4,8,13H,5-7H2,1-2H3.
What are the key properties of 3-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one?
3-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 228.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62927950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).