Q1E
Summary
| Name: | ~{N}-methyl-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonyl-propanamide |
| Formula: | C13 H19 N7 O3 S |
| Formal charge: | 0 |
| Formula weight: | 353.4 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H19N7O3S/c1-14-13(21)4-9-24(22,23)19-7-5-18(6-8-19)12-3-2-11-16-15-10-20(11)17-12/h2-3,10H,4-9H2,1H3,(H,14,21) |
| InChIKey | InChI | 1.03 | KVLQRUOLMVHSTQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)CC[S](=O)(=O)N1CCN(CC1)c2ccc3nncn3n2 |
| SMILES | CACTVS | 3.385 | CNC(=O)CC[S](=O)(=O)N1CCN(CC1)c2ccc3nncn3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)CCS(=O)(=O)N1CCN(CC1)c2ccc3nncn3n2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)CCS(=O)(=O)N1CCN(CC1)c2ccc3nncn3n2 |
