UM7
Summary
| Name: | methyl (3S)-hexahydropyridazine-3-carboxylate |
| Formula: | C6 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 144.172 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (3S)-hexahydropyridazine-3-carboxylate |
| OpenEye OEToolkits | 2.0.7 | methyl (3~{S})-1,2-diazinane-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1NNC(CC1)C(=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C6H12N2O2/c1-10-6(9)5-3-2-4-7-8-5/h5,7-8H,2-4H2,1H3/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | GAUFSAOOPHWSRO-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H]1CCCNN1 |
| SMILES | CACTVS | 3.385 | COC(=O)[CH]1CCCNN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)[C@@H]1CCCNN1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C1CCCNN1 |
