3-(5-Methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid - CAS 1018052-06-6
Catalog: |
BB052910 |
Product Name: |
3-(5-Methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid |
CAS: |
1018052-06-6 |
Synonyms: |
3-[5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoicacid |
IUPAC Name: | 3-[5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
Molecular Weight: | 274.2 |
Molecular Formula: | C10H9F3N4O2 |
Canonical SMILES: | CC1=NC2=NC(=NN2C(=C1)C(F)(F)F)CCC(=O)O |
InChI: | InChI=1S/C10H9F3N4O2/c1-5-4-6(10(11,12)13)17-9(14-5)15-7(16-17)2-3-8(18)19/h4H,2-3H2,1H3,(H,18,19) |
InChI Key: | LFZOIVDWXUJMGE-UHFFFAOYSA-N |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 352 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.06776003 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.06776003 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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