P2L
Summary
| Name: | 4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one |
| Formula: | C11 H17 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 256.732 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-chloranyl-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H17ClN4O/c1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h6,8,14H,3-5,7H2,1-2H3/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | LEPPHANDICKARV-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC[C@H](C1)NC2=C(Cl)C(=O)N(C)N=C2 |
| SMILES | CACTVS | 3.385 | CN1CCC[CH](C1)NC2=C(Cl)C(=O)N(C)N=C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCC[C@H](C1)NC2=C(C(=O)N(N=C2)C)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCCC(C1)NC2=C(C(=O)N(N=C2)C)Cl |
