| CAS Number | 2034479-49-5 |
| Catalog Number | AG01E7Y7 |
| Chemical Name | [7-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine dihydrochloride |
| IUPAC Name | [7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine;dihydrochloride |
| InChI | InChI=1S/C8H11F3N4.2ClH/c9-8(10,11)5-1-2-15-6(3-5)13-14-7(15)4-12;;/h5H,1-4,12H2;2*1H |
| InChI Key | VGEJLQFXTVVVIX-UHFFFAOYSA-N |
| MDL Number | MFCD30503122 |
| Molecular Formula | C8H13Cl2F3N4 |
| Molecular Weight | 293.1168 |
| SMILES | Cl.Cl.NCC1N2C(CC(C(F)(F)F)CC2)=NN=1 |
| Synonyms | (7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine dihydrochloride,
AKOS026700112,
F1907-2414,
Z2832014026,
[7-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine dihydrochloride,
2034479-49-5,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.046936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.11g/mol |
| Monoisotopic Mass | 292.046936g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.7Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number