3-(2-hydroxyphenyl)sulfanyl-1-(2-methylpropyl)pyrazin-2-one

C14H16N2O2S — CID 62928329

IUPAC3-(2-hydroxyphenyl)sulfanyl-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(Sc2ccccc2O)c1=O
InChIInChI=1S/C14H16N2O2S/c1-10(2)9-16-8-7-15-13(14(16)18)19-12-6-4-3-5-11(12)17/h3-8,10,17H,9H2,1-2H3
InChIKeyOCZWBTLSUAUGLI-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.76
Rot. Bonds4

About 3-(2-hydroxyphenyl)sulfanyl-1-(2-methylpropyl)pyrazin-2-one

3-(2-hydroxyphenyl)sulfanyl-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62928329) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)sulfanyl-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)sulfanyl-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62928329
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-(2-hydroxyphenyl)sulfanyl-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(Sc2ccccc2O)c1=O
InChIInChI=1S/C14H16N2O2S/c1-10(2)9-16-8-7-15-13(14(16)18)19-12-6-4-3-5-11(12)17/h3-8,10,17H,9H2,1-2H3
InChIKeyOCZWBTLSUAUGLI-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)sulfanyl-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(2-hydroxyphenyl)sulfanyl-1-(2-methylpropyl)pyrazin-2-one (CID 62928329) is 3-(2-hydroxyphenyl)sulfanyl-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)sulfanyl-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(2-hydroxyphenyl)sulfanyl-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(Sc2ccccc2O)c1=O.
What is the InChIKey of 3-(2-hydroxyphenyl)sulfanyl-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is OCZWBTLSUAUGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10(2)9-16-8-7-15-13(14(16)18)19-12-6-4-3-5-11(12)17/h3-8,10,17H,9H2,1-2H3.
What are the key properties of 3-(2-hydroxyphenyl)sulfanyl-1-(2-methylpropyl)pyrazin-2-one?
3-(2-hydroxyphenyl)sulfanyl-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 276.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)sulfanyl-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62928329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).