89J
Summary
| Name: | 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one |
| Formula: | C12 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 215.251 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one |
| OpenEye OEToolkits | 2.0.6 | 2-methyl-5-(methylamino)-6-phenyl-pyridazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccccc1C=2C(=CC(N(C)N=2)=O)NC |
| InChI | InChI | 1.03 | InChI=1S/C12H13N3O/c1-13-10-8-11(16)15(2)14-12(10)9-6-4-3-5-7-9/h3-8,13H,1-2H3 |
| InChIKey | InChI | 1.03 | ZRCCUVSDZQJQEX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC1=CC(=O)N(C)N=C1c2ccccc2 |
| SMILES | CACTVS | 3.385 | CNC1=CC(=O)N(C)N=C1c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNC1=CC(=O)N(N=C1c2ccccc2)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNC1=CC(=O)N(N=C1c2ccccc2)C |
