1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one

C12H10F3N5O2S — CID 31612921

IUPAC1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one
SMILESO=C(CSc1nnc2ccc(C(F)(F)F)cn12)N1CCNC1=O
InChIInChI=1S/C12H10F3N5O2S/c13-12(14,15)7-1-2-8-17-18-11(20(8)5-7)23-6-9(21)19-4-3-16-10(19)22/h1-2,5H,3-4,6H2,(H,16,22)
InChIKeyZCLFUMLRTYTZCL-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.39
Rot. Bonds3

About 1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one

1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one (PubChem CID 31612921) has the molecular formula C12H10F3N5O2S and a molecular weight of 345.31 g/mol. Its IUPAC name is 1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one
PubChem CID31612921
Molecular FormulaC12H10F3N5O2S
Molecular Weight345.31 g/mol
Exact Mass345.05
IUPAC Name1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one
SMILESO=C(CSc1nnc2ccc(C(F)(F)F)cn12)N1CCNC1=O
InChIInChI=1S/C12H10F3N5O2S/c13-12(14,15)7-1-2-8-17-18-11(20(8)5-7)23-6-9(21)19-4-3-16-10(19)22/h1-2,5H,3-4,6H2,(H,16,22)
InChIKeyZCLFUMLRTYTZCL-UHFFFAOYSA-N
XLogP1.39
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one (CID 31612921) is 1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one is O=C(CSc1nnc2ccc(C(F)(F)F)cn12)N1CCNC1=O.
What is the InChIKey of 1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one?
The InChIKey is ZCLFUMLRTYTZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O2S/c13-12(14,15)7-1-2-8-17-18-11(20(8)5-7)23-6-9(21)19-4-3-16-10(19)22/h1-2,5H,3-4,6H2,(H,16,22).
What are the key properties of 1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one?
1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one has a molecular weight of 345.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 31612921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).