5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine - CAS 304687-29-4
Catalog: |
BB042972 |
Product Name: |
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine |
CAS: |
304687-29-4 |
Synonyms: |
5-Phenyl-7-trifluoromethyl-[1,2,4]triazolo[1,5-a]-pyrimidin-2-ylamine; 5-Phenyl-7-(trifluoromethyl)-8-hydro-1,2,4-triazolo[1,5-a]pyrimidine-2-ylamine |
IUPAC Name: | 5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine |
Description: | 5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CAS# 304687-29-4 ) is a useful research chemical. |
Molecular Weight: | 279.22 |
Molecular Formula: | C12H8F3N5 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NC3=NC(=NN3C(=C2)C(F)(F)F)N |
InChI: | InChI=1S/C12H8F3N5/c13-12(14,15)9-6-8(7-4-2-1-3-5-7)17-11-18-10(16)19-20(9)11/h1-6H,(H2,16,19) |
InChI Key: | LPYIIYWRMAUKKS-UHFFFAOYSA-N |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.07317976 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.07317976 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 69.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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