YC4
Summary
| Name: | 4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one |
| Formula: | C9 H13 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 228.679 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H13ClN4O/c1-14-9(15)8(10)7(5-12-14)13-6-2-3-11-4-6/h5-6,11,13H,2-4H2,1H3/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | VEVITSUXBQZDFS-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1N=CC(=C(Cl)C1=O)N[C@H]2CCNC2 |
| SMILES | CACTVS | 3.385 | CN1N=CC(=C(Cl)C1=O)N[CH]2CCNC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C(=C(C=N1)N[C@H]2CCNC2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C(=C(C=N1)NC2CCNC2)Cl |
