W6C
Summary
| Name: | N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide |
| Formula: | C10 H17 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 227.26 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S})-1-methoxypropan-2-yl]-1-methyl-6-oxidanylidene-4,5-dihydropyridazine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C)COC)C=1CCC(=O)N(C)N=1 |
| InChI | InChI | 1.06 | InChI=1S/C10H17N3O3/c1-7(6-16-3)11-10(15)8-4-5-9(14)13(2)12-8/h7H,4-6H2,1-3H3,(H,11,15)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | NVYYVNOWRGBMCS-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC[C@H](C)NC(=O)C1=NN(C)C(=O)CC1 |
| SMILES | CACTVS | 3.385 | COC[CH](C)NC(=O)C1=NN(C)C(=O)CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](COC)NC(=O)C1=NN(C(=O)CC1)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(COC)NC(=O)C1=NN(C(=O)CC1)C |
