I4S
Summary
| Name: | 3,6-dimethyl-2~{H}-1,2,4-triazin-5-one |
| Formula: | C5 H7 N3 O |
| Formal charge: | 0 |
| Formula weight: | 125.129 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,6-dimethyl-2~{H}-1,2,4-triazin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H7N3O/c1-3-5(9)6-4(2)8-7-3/h1-2H3,(H,6,8,9) |
| InChIKey | InChI | 1.06 | WZMOVTWDPULYIG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=NC(=O)C(=NN1)C |
| SMILES | CACTVS | 3.385 | CC1=NC(=O)C(=NN1)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=NNC(=NC1=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=NNC(=NC1=O)C |
