| CAS Number | 425702-95-0 |
| Catalog Number | AG00C9N9(AGN-PC-0WABPF) |
| Chemical Name | 6-(Trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| IUPAC Name | 6-(trifluoromethyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one |
| InChI | InChI=1S/C7H4F3N3O/c8-7(9,10)4-1-2-5-11-12-6(14)13(5)3-4/h1-3H,(H,12,14) |
| InChI Key | LQMGJFYJBYMLCF-UHFFFAOYSA-N |
| MDL Number | MFCD23701113 |
| Molecular Formula | C7H4F3N3O |
| Molecular Weight | 203.1214 |
| SMILES | C1=CC2=NNC(=O)N2C=C1C(F)(F)F |
| Synonyms | 425702-95-0,
6-(Trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one,
6-(Trifluoromethyl)-[1,2,4]triazolo-[4,3-a]pyridin-3(2H)-one,
SCHEMBL6724420,
MFCD23701113,
ZINC95616397,
AKOS023872030,
C-0299,
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| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.124g/mol |
| Monoisotopic Mass | 203.031g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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