| CAS Number | 1175301-94-6 |
| Catalog Number | AG00930Q(AGN-PC-0WO174) |
| Chemical Name | {6-Chloro-[1,2,4]Triazolo[4,3-b]Pyridazin-3-Yl}Methanol |
| IUPAC Name | (6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanol |
| InChI | InChI=1S/C6H5ClN4O/c7-4-1-2-5-8-9-6(3-12)11(5)10-4/h1-2,12H,3H2 |
| InChI Key | RDZXJFHVKJANKN-UHFFFAOYSA-N |
| MDL Number | MFCD12805004 |
| Molecular Formula | C6H5ClN4O |
| Molecular Weight | 184.5831 |
| SMILES | OCC1N2C(C=CC(=N2)Cl)=NN=1 |
| Synonyms | {6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methanol,
1175301-94-6,
(6-chloro[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanol,
(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanol,
AC1Q7C5D,
SCHEMBL2420906,
RDZXJFHVKJANKN-UHFFFAOYSA-N,
ZINC37731416,
AKOS010133371,
MCULE-5797672714,
NE49323,
EN300-68728,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.583g/mol |
| Monoisotopic Mass | 184.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number