5-Thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Basic information
- CAS
299405-39-3- Standard SMILES
FC(F)(F)c1cc(-c2cccs2)nc2ncnn12- InChIKey
XMKJDVXRDGBKRF-UHFFFAOYSA-N- Molecular formula
- C10H5F3N4S
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.01870184
Overview
5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is a member of triazolopyrimidines.
Names & identifiers
- Preferred name
- 5-Thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
- IUPAC
- 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Names & synonyms
5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine299405-39-35-(2-thienyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidineMLS000712537CHEMBL1500135CHEBI:116127DTXSID501326628HMS2673H24STK384957AKOS000561341CCG-104857
Show more names
5-(THIOPHEN-2-YL)-7-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINESMR000282304ST004924AG-219/36043010Q271987722-[7-(trifluoromethyl)-8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-5-yl]thiophene
Database identifiers
- CAS
299405-39-3- PubChem CID
- 673375
- DTXSID
DTXSID501326628- ChEMBL
CHEMBL1500135- ChEBI
CHEBI:116127- Nikkaji
- J3.268.701F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Experimental & physicochemical properties
Solubility37.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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