W8B
Summary
| Name: | 4-chloro-5-(morpholin-4-yl)pyridazin-3(2H)-one |
| Formula: | C8 H10 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 215.637 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-chloro-5-(morpholin-4-yl)pyridazin-3(2H)-one |
| OpenEye OEToolkits | 2.0.7 | 5-chloranyl-4-morpholin-4-yl-1~{H}-pyridazin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ClC1=C(C=NNC1=O)N1CCOCC1 |
| InChI | InChI | 1.06 | InChI=1S/C8H10ClN3O2/c9-7-6(5-10-11-8(7)13)12-1-3-14-4-2-12/h5H,1-4H2,(H,11,13) |
| InChIKey | InChI | 1.06 | NXBBUGQZWHZSPQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClC1=C(C=NNC1=O)N2CCOCC2 |
| SMILES | CACTVS | 3.385 | ClC1=C(C=NNC1=O)N2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1COCCN1C2=C(C(=O)NN=C2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1COCCN1C2=C(C(=O)NN=C2)Cl |
