Methyl 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Basic information
- CAS
300718-60-9- Standard SMILES
COC(=O)c1nc2nc(C)cc(C(F)(F)F)n2n1- InChIKey
PRFBYKZPZLEBIA-UHFFFAOYSA-N- Molecular formula
- C9H7F3N4O2
- Average molar mass
- 260.17 g/mol
- Monoisotopic mass
- 260.05210997
Names & identifiers
- Preferred name
- Methyl 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
- IUPAC
- methyl 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
- English name
- methyl 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
- Molecular formula
- C9H7F3N4O2
- Molecular weight
- 260.17
Names & synonyms
methyl 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylatemethyl 5-methyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylateMLS000028246CHEMBL1889888HMS2376D07HMS5113I07STL329545AKOS000561677CCG-198428SMR000001218ST50219365UNM000000856501
Show more names
5-ME-7-TRI-F-ME-(1,2,4)TRIAZOLO(1,5-A)PYRIMIDINE-2-CARBOXYLIC ACID ME ESTER[1,2,4]Triazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-methyl-7-(trifluoromethyl)-, methyl ester
SR-01000551321SR-01000551321-15-Methyl-7-trifluoromethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid methyl estermethyl 5-methyl-7-(trifluoromethyl)-8-hydro-1,2,4-triazolo[1,5-a]pyrimidine-2- carboxylate300718-60-9
Database identifiers
- CAS
300718-60-9- PubChem CID
- 646869
- ChEMBL
CHEMBL1889888- EC Number
- 141-365-7
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- -3.44 · -3.44±0.30(Predicted)
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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