Ethyl [5-methyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate - CAS 1160246-31-0
Catalog: |
BB053089 |
Product Name: |
Ethyl [5-methyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate |
CAS: |
1160246-31-0 |
Synonyms: |
Ethyl 2-(5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate |
IUPAC Name: | ethyl 2-[5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate |
Molecular Weight: | 288.23 |
Molecular Formula: | C11H11F3N4O2 |
Canonical SMILES: | CCOC(=O)CC1=NN2C(=CC(=NC2=N1)C)C(F)(F)F |
InChI: | InChI=1S/C11H11F3N4O2/c1-3-20-9(19)5-8-16-10-15-6(2)4-7(11(12,13)14)18(10)17-8/h4H,3,5H2,1-2H3 |
InChI Key: | PMYGCKWCCUKUBP-UHFFFAOYSA-N |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 366 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.08341009 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.08341009 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 69.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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