UW6
Summary
| Name: | 5-methylpyridazin-3(2H)-one |
| Formula: | C5 H6 N2 O |
| Formal charge: | 0 |
| Formula weight: | 110.114 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-methylpyridazin-3(2H)-one |
| OpenEye OEToolkits | 2.0.7 | 4-methyl-1~{H}-pyridazin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=C(C)C=NN1 |
| InChI | InChI | 1.06 | InChI=1S/C5H6N2O/c1-4-2-5(8)7-6-3-4/h2-3H,1H3,(H,7,8) |
| InChIKey | InChI | 1.06 | MMDFKVYPOQFQHP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)NN=C1 |
| SMILES | CACTVS | 3.385 | CC1=CC(=O)NN=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)NN=C1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)NN=C1 |
