3-(cyclopropylmethylsulfanyl)-1-(3-fluorophenyl)pyrazin-2-one

C14H13FN2OS — CID 155976771

IUPAC3-(cyclopropylmethylsulfanyl)-1-(3-fluorophenyl)pyrazin-2-one
SMILESO=c1c(SCC2CC2)nccn1-c1cccc(F)c1
InChIInChI=1S/C14H13FN2OS/c15-11-2-1-3-12(8-11)17-7-6-16-13(14(17)18)19-9-10-4-5-10/h1-3,6-8,10H,4-5,9H2
InChIKeyAZUCBODVTXRUFY-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.87
Rot. Bonds4

About 3-(cyclopropylmethylsulfanyl)-1-(3-fluorophenyl)pyrazin-2-one

3-(cyclopropylmethylsulfanyl)-1-(3-fluorophenyl)pyrazin-2-one (PubChem CID 155976771) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfanyl)-1-(3-fluorophenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfanyl)-1-(3-fluorophenyl)pyrazin-2-one
PubChem CID155976771
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name3-(cyclopropylmethylsulfanyl)-1-(3-fluorophenyl)pyrazin-2-one
SMILESO=c1c(SCC2CC2)nccn1-c1cccc(F)c1
InChIInChI=1S/C14H13FN2OS/c15-11-2-1-3-12(8-11)17-7-6-16-13(14(17)18)19-9-10-4-5-10/h1-3,6-8,10H,4-5,9H2
InChIKeyAZUCBODVTXRUFY-UHFFFAOYSA-N
XLogP2.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylmethylsulfanyl)-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 155976972
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one
CID 20941794
1-(4-bromophenyl)-3-[(3-fluorophenyl)methylsulfanyl]pyrazin-2-one
CID 30632305
2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 16824594
N-(3,4-dimethoxyphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18591777
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 4961838
1-(3-fluorophenyl)imidazole-2-carboxylic acid
CID 83882652
1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one
CID 20942000
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetonitrile
CID 82128973
3-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)pyrazin-2-one
CID 16824560
3-[(4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)pyrazin-2-one
CID 46337638
N-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18579474

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfanyl)-1-(3-fluorophenyl)pyrazin-2-one?
The IUPAC name of 3-(cyclopropylmethylsulfanyl)-1-(3-fluorophenyl)pyrazin-2-one (CID 155976771) is 3-(cyclopropylmethylsulfanyl)-1-(3-fluorophenyl)pyrazin-2-one.
What is the SMILES notation for 3-(cyclopropylmethylsulfanyl)-1-(3-fluorophenyl)pyrazin-2-one?
The canonical SMILES for 3-(cyclopropylmethylsulfanyl)-1-(3-fluorophenyl)pyrazin-2-one is O=c1c(SCC2CC2)nccn1-c1cccc(F)c1.
What is the InChIKey of 3-(cyclopropylmethylsulfanyl)-1-(3-fluorophenyl)pyrazin-2-one?
The InChIKey is AZUCBODVTXRUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c15-11-2-1-3-12(8-11)17-7-6-16-13(14(17)18)19-9-10-4-5-10/h1-3,6-8,10H,4-5,9H2.
What are the key properties of 3-(cyclopropylmethylsulfanyl)-1-(3-fluorophenyl)pyrazin-2-one?
3-(cyclopropylmethylsulfanyl)-1-(3-fluorophenyl)pyrazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfanyl)-1-(3-fluorophenyl)pyrazin-2-one is sourced from PubChem (CID 155976771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).