| CAS Number | 53085-52-2 |
| Catalog Number | AG00DLUS(AGN-PC-0WO8OH) |
| Chemical Name | 6-Chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine |
| IUPAC Name | 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine |
| InChI | InChI=1S/C6H6ClN5/c1-3-9-10-6-4(8)2-5(7)11-12(3)6/h2H,8H2,1H3 |
| InChI Key | DPQWAJPMHCHEBY-UHFFFAOYSA-N |
| MDL Number | MFCD20707049 |
| Molecular Formula | C6H6ClN5 |
| Molecular Weight | 183.5983 |
| SMILES | ClC=1C=C(C=2N(N1)C(=NN2)C)N |
| Synonyms | 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine,
53085-52-2,
CHEMBL3133810,
SCHEMBL16244413,
DPQWAJPMHCHEBY-UHFFFAOYSA-N,
MFCD20707049,
ZINC82164226,
AKOS026728885,
NE44720,
8-Amino-6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.599g/mol |
| Monoisotopic Mass | 183.031g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number