W3G
Summary
| Name: | pyridazin-3(2H)-one |
| Formula: | C4 H4 N2 O |
| Formal charge: | 0 |
| Formula weight: | 96.087 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | pyridazin-3(2H)-one |
| OpenEye OEToolkits | 2.0.7 | 1~{H}-pyridazin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1N=CC=CC1=O |
| InChI | InChI | 1.03 | InChI=1S/C4H4N2O/c7-4-2-1-3-5-6-4/h1-3H,(H,6,7) |
| InChIKey | InChI | 1.03 | AAILEWXSEQLMNI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NN=CC=C1 |
| SMILES | CACTVS | 3.385 | O=C1NN=CC=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CC(=O)NN=C1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CC(=O)NN=C1 |
