1-(2-chlorophenyl)-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)pyrrolidin-2-one

C15H12ClN5OS — CID 56786450

IUPAC1-(2-chlorophenyl)-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)pyrrolidin-2-one
SMILESO=C1C(Sc2nc3ncccn3n2)CCN1c1ccccc1Cl
InChIInChI=1S/C15H12ClN5OS/c16-10-4-1-2-5-11(10)20-9-6-12(13(20)22)23-15-18-14-17-7-3-8-21(14)19-15/h1-5,7-8,12H,6,9H2
InChIKeyZOTYOUFJLMCQSZ-UHFFFAOYSA-N
MW345.82 g/mol
LogP2.68
Rot. Bonds3

About 1-(2-chlorophenyl)-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)pyrrolidin-2-one

1-(2-chlorophenyl)-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)pyrrolidin-2-one (PubChem CID 56786450) has the molecular formula C15H12ClN5OS and a molecular weight of 345.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)pyrrolidin-2-one
PubChem CID56786450
Molecular FormulaC15H12ClN5OS
Molecular Weight345.82 g/mol
Exact Mass345.05
IUPAC Name1-(2-chlorophenyl)-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)pyrrolidin-2-one
SMILESO=C1C(Sc2nc3ncccn3n2)CCN1c1ccccc1Cl
InChIInChI=1S/C15H12ClN5OS/c16-10-4-1-2-5-11(10)20-9-6-12(13(20)22)23-15-18-14-17-7-3-8-21(14)19-15/h1-5,7-8,12H,6,9H2
InChIKeyZOTYOUFJLMCQSZ-UHFFFAOYSA-N
XLogP2.68
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.82
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)pyrrolidin-2-one (CID 56786450) is 1-(2-chlorophenyl)-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)pyrrolidin-2-one is O=C1C(Sc2nc3ncccn3n2)CCN1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)pyrrolidin-2-one?
The InChIKey is ZOTYOUFJLMCQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5OS/c16-10-4-1-2-5-11(10)20-9-6-12(13(20)22)23-15-18-14-17-7-3-8-21(14)19-15/h1-5,7-8,12H,6,9H2.
What are the key properties of 1-(2-chlorophenyl)-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)pyrrolidin-2-one?
1-(2-chlorophenyl)-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)pyrrolidin-2-one has a molecular weight of 345.82 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)pyrrolidin-2-one is sourced from PubChem (CID 56786450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).