GV4
Summary
| Name: | 2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide |
| Formula: | C9 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 192.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H12N4O/c1-6-9(7(2)13(3)12-6)11-8(14)4-5-10/h4H2,1-3H3,(H,11,14) |
| InChIKey | InChI | 1.03 | GCDMTIQQHYQVGI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)c(NC(=O)CC#N)c1C |
| SMILES | CACTVS | 3.385 | Cn1nc(C)c(NC(=O)CC#N)c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(n(n1)C)C)NC(=O)CC#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(n(n1)C)C)NC(=O)CC#N |
