3-[5-Propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid - CAS 1119429-23-0
Catalog: |
BB042920 |
Product Name: |
3-[5-Propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
CAS: |
1119429-23-0 |
Synonyms: |
3-(5-Isopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid; CHEMBL3487135; SBB026651; STK400246 |
IUPAC Name: | 3-[5-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
Description: | 3-[5-Propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid (CAS# 1119429-23-0 ) is a useful research chemical. |
Molecular Weight: | 302.25 |
Molecular Formula: | C12H13F3N4O2 |
Canonical SMILES: | CC(C)C1=NC2=NC(=NN2C(=C1)C(F)(F)F)CCC(=O)O |
InChI: | InChI=1S/C12H13F3N4O2/c1-6(2)7-5-8(12(13,14)15)19-11(16-7)17-9(18-19)3-4-10(20)21/h5-6H,3-4H2,1-2H3,(H,20,21) |
InChI Key: | LGGPWNHCPJZRJW-UHFFFAOYSA-N |
Complexity: | 391 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.09906016 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.09906016 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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