HMM
Summary
| Name: | 5-HYDROXYMETHYL-2-METHYL-5,8-DIHYDRO-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZINE-1,3-DIONE |
| Formula: | C8 H11 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 197.191 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5S)-5-(hydroxymethyl)-2-methyl-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione |
| OpenEye OEToolkits | 1.5.0 | (5S)-5-(hydroxymethyl)-2-methyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N(C(=O)N2N1C(C=CC2)CO)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1C(=O)N2CC=C[C@@H](CO)N2C1=O |
| SMILES | CACTVS | 3.341 | CN1C(=O)N2CC=C[CH](CO)N2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1C(=O)N2CC=C[C@H](N2C1=O)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1C(=O)N2CC=CC(N2C1=O)CO |
| InChI | InChI | 1.03 | InChI=1S/C8H11N3O3/c1-9-7(13)10-4-2-3-6(5-12)11(10)8(9)14/h2-3,6,12H,4-5H2,1H3/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | YXLVIORYJGPOCZ-LURJTMIESA-N |
