| CAS Number | 87841-08-5 |
| Catalog Number | AG01C95H |
| Chemical Name | 3-Bromo-[1,2,4]triazolo[4,3-b]pyridazine |
| IUPAC Name | 3-bromo-[1,2,4]triazolo[4,3-b]pyridazine |
| InChI | InChI=1S/C5H3BrN4/c6-5-9-8-4-2-1-3-7-10(4)5/h1-3H |
| InChI Key | KWJBSUJSIKXPKX-UHFFFAOYSA-N |
| MDL Number | MFCD01219677 |
| Molecular Formula | C5H3BrN4 |
| Molecular Weight | 199.0081 |
| SMILES | BrC1N2C(C=CC=N2)=NN=1 |
| Synonyms | 3-bromo-[1,2,4]triazolo[4,3-b]pyridazine,
87841-08-5,
SCHEMBL14325766,
KWJBSUJSIKXPKX-UHFFFAOYSA-N,
MFCD01219677,
ZINC82384066,
CS-0080912,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.011g/mol |
| Monoisotopic Mass | 197.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number