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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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).