| CAS Number | 1423034-73-4 |
| Catalog Number | AG019SLG(AGN-PC-0WO367) |
| Chemical Name | [8-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine |
| IUPAC Name | [8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine |
| InChI | InChI=1S/C8H11F3N4/c9-8(10,11)5-2-1-3-15-6(4-12)13-14-7(5)15/h5H,1-4,12H2 |
| InChI Key | CHNSMJPAYBYFIK-UHFFFAOYSA-N |
| MDL Number | MFCD22628562 |
| Molecular Formula | C8H11F3N4 |
| Molecular Weight | 220.1949 |
| SMILES | NCC1N2C(C(C(F)(F)F)CCC2)=NN=1 |
| Synonyms | [8-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine,
1423034-73-4,
AKOS026727117,
NE18518,
F8880-5512,
[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.199g/mol |
| Monoisotopic Mass | 220.094g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number