7-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C12H6F3N7S — CID 136577628

IUPAC7-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(Sc2nnc3ccccn23)n2ncnc2n1
InChIInChI=1S/C12H6F3N7S/c13-12(14,15)7-5-9(22-10(18-7)16-6-17-22)23-11-20-19-8-3-1-2-4-21(8)11/h1-6H
InChIKeyVFZCMPXZGHWHFN-UHFFFAOYSA-N
MW337.29 g/mol
LogP2.34
Rot. Bonds2

About 7-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136577628) has the molecular formula C12H6F3N7S and a molecular weight of 337.29 g/mol. Its IUPAC name is 7-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136577628
Molecular FormulaC12H6F3N7S
Molecular Weight337.29 g/mol
Exact Mass337.04
IUPAC Name7-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(Sc2nnc3ccccn23)n2ncnc2n1
InChIInChI=1S/C12H6F3N7S/c13-12(14,15)7-5-9(22-10(18-7)16-6-17-22)23-11-20-19-8-3-1-2-4-21(8)11/h1-6H
InChIKeyVFZCMPXZGHWHFN-UHFFFAOYSA-N
XLogP2.34
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136577628) is 7-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(Sc2nnc3ccccn23)n2ncnc2n1.
What is the InChIKey of 7-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is VFZCMPXZGHWHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N7S/c13-12(14,15)7-5-9(22-10(18-7)16-6-17-22)23-11-20-19-8-3-1-2-4-21(8)11/h1-6H.
What are the key properties of 7-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 337.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136577628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).