| CAS Number | 1258640-21-9 |
| Catalog Number | AG01AB8I(AGN-PC-0WO1MV) |
| Chemical Name | 5,6-diethyl-3-oxo-2,3-dihydropyridazine-4-carbonitrile |
| IUPAC Name | 3,4-diethyl-6-oxo-1H-pyridazine-5-carbonitrile |
| InChI | InChI=1S/C9H11N3O/c1-3-6-7(5-10)9(13)12-11-8(6)4-2/h3-4H2,1-2H3,(H,12,13) |
| InChI Key | KKBDFDHBKIFPIO-UHFFFAOYSA-N |
| MDL Number | MFCD17977115 |
| Molecular Formula | C9H11N3O |
| Molecular Weight | 177.2031 |
| SMILES | CCC1C(CC)=C(C#N)C(=O)NN=1 |
| Synonyms | 5,6-diethyl-3-oxo-2,3-dihydropyridazine-4-carbonitrile,
1258640-21-9,
AC1Q2U8Q,
ZINC57218758,
AKOS017375436,
AKOS026726617,
MCULE-5003691382,
NE19935,
EN300-70787,
5,6-diethyl-3-hydroxypyridazine-4-carbonitrile,
Z1258992483,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.207g/mol |
| Monoisotopic Mass | 177.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number