Basic information
- CAS
299405-35-9- Standard SMILES
FC(F)(F)c1cc(-c2ccccc2)nc2ncnn12- InChIKey
NRCLELLRAKOLNL-UHFFFAOYSA-N- Molecular formula
- C12H7F3N4
- Average molar mass
- 264.21 g/mol
- Monoisotopic mass
- 264.06228073
Names & identifiers
- Preferred name
- 5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
- IUPAC
- 5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
- English name
- 5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
- Molecular formula
- C12H7F3N4
- Molecular weight
- 264.21
Names & synonyms
5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidineCBMicro_018292299405-35-9MLS000525598CHEMBL13780615-Phenyl-7-trifluoromethyl-[1,2,4]triazolo[1,5-a]pyrimidineBDBM108247HMS1617J08HMS2469C20CCG-6669STK089071
Show more names
[1,2,4]Triazolo[1,5-a]pyrimidine, 5-phenyl-7-(trifluoromethyl)-
AKOS000359442SMR000116072ST011705BIM-0018355.P001Z568491135-phenyl-7-trifluoromethyl[1,2,4]triazolo[1,5-a]-pyrimidine5-phenyl-7-(trifluoromethyl)-8-hydro-1,2,4-triazolo[1,5-a]pyrimidine5‐phenyl‐7‐(trifluoromethyl)‐[1,2,4]triazolo[1,5‐ a]pyrimidine (Hit 15)
Database identifiers
- CAS
299405-35-9- PubChem CID
- 719986
- ChEMBL
CHEMBL1378061- EC Number
- 168-025-0
- Nikkaji
- J3.268.703B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Suppliers3 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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