A1I9I
Summary
| Name: | 6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one |
| Synonyms: | 6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one |
| Formula: | C13 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 214.263 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H14N2O/c1-10-3-6-12(7-4-10)9-15-13(16)8-5-11(2)14-15/h3-8H,9H2,1-2H3 |
| InChIKey | InChI | 1.06 | CQCUMPFQORSELD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(CN2N=C(C)C=CC2=O)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(CN2N=C(C)C=CC2=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CN2C(=O)C=CC(=N2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CN2C(=O)C=CC(=N2)C |
