| CAS Number | 1110542-95-4 |
| Catalog Number | AG01ARI8 |
| Chemical Name | 2-{6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}pyridine |
| IUPAC Name | 6-chloro-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine |
| InChI | InChI=1S/C10H6ClN5/c11-8-4-5-9-13-14-10(16(9)15-8)7-3-1-2-6-12-7/h1-6H |
| InChI Key | MVJZVTGJTQYPRW-UHFFFAOYSA-N |
| MDL Number | MFCD11103595 |
| Molecular Formula | C10H6ClN5 |
| Molecular Weight | 231.6411 |
| SMILES | ClC1=NN2C(=NN=C2C2=NC=CC=C2)C=C1 |
| Synonyms | 1110542-95-4,
2-{6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}pyridine,
ZINC34962797,
AKOS009333424,
F1967-0596,
3-(2-Pyridinyl)-5-chloro-1,2,3a,4-tetraaza-3aH-indene,
6-chloro-3-pyridin-2-yl[1,2,4]triazolo[4,3-b]pyridazine,
6-chloro-3-pyridin-2-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