| CAS Number | 1094260-38-4 |
| Catalog Number | AG01ARIC |
| Chemical Name | 3-{6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}pyridine |
| IUPAC Name | 6-chloro-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine |
| InChI | InChI=1S/C10H6ClN5/c11-8-3-4-9-13-14-10(16(9)15-8)7-2-1-5-12-6-7/h1-6H |
| InChI Key | APXVJDJWZWKXIT-UHFFFAOYSA-N |
| MDL Number | MFCD11182573 |
| Molecular Formula | C10H6ClN5 |
| Molecular Weight | 231.6411 |
| SMILES | ClC1=NN2C(=NN=C2C2=CN=CC=C2)C=C1 |
| Synonyms | 1094260-38-4,
6-chloro-3-pyridin-3-yl[1,2,4]triazolo[4,3-b]pyridazine,
3-{6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}pyridine,
DTXSID00655534,
ZINC36903772,
AKOS009333784,
F1967-0597,
6-Chloro-3-(pyridin-3-yl)[1,2,4]triazolo[4,3-b]pyridazine,
6-chloro-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.643g/mol |
| Monoisotopic Mass | 231.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number