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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Related Compounds

3-[(3-amino-4-pyridinyl)sulfanyl]-1-(2-methylpropyl)pyrazin-2-one
CID 55157199
3-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]sulfanylpropanoic acid
CID 62941035
3-(3-hydroxypropylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one
CID 66113162
3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-methylpropyl)pyrazin-2-one
CID 133424294
1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
CID 63810541
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964
3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938286
3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106185827
3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one
CID 62939762
3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 104695867
N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
CID 55155069
3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 133424216

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).