5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C10H5F3N4S — CID 673375

IUPAC5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2cccs2)nc2ncnn12
InChIInChI=1S/C10H5F3N4S/c11-10(12,13)8-4-6(7-2-1-3-18-7)16-9-14-5-15-17(8)9/h1-5H
InChIKeyXMKJDVXRDGBKRF-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.87
Rot. Bonds1

About 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 673375) has the molecular formula C10H5F3N4S and a molecular weight of 270.24 g/mol. Its IUPAC name is 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID673375
Molecular FormulaC10H5F3N4S
Molecular Weight270.24 g/mol
Exact Mass270.02
IUPAC Name5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2cccs2)nc2ncnn12
InChIInChI=1S/C10H5F3N4S/c11-10(12,13)8-4-6(7-2-1-3-18-7)16-9-14-5-15-17(8)9/h1-5H
InChIKeyXMKJDVXRDGBKRF-UHFFFAOYSA-N
XLogP2.87
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 673375) is 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2cccs2)nc2ncnn12.
What is the InChIKey of 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XMKJDVXRDGBKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N4S/c11-10(12,13)8-4-6(7-2-1-3-18-7)16-9-14-5-15-17(8)9/h1-5H.
What are the key properties of 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 270.24 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 673375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).