Q9Y
Summary
| Name: | ~{N}-methyl-3-(3-methylbutyl)-5-oxidanyl-1,2,3-triazole-4-carboxamide |
| Formula: | C9 H16 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 212.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-methyl-3-(3-methylbutyl)-5-oxidanyl-1,2,3-triazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H16N4O2/c1-6(2)4-5-13-7(8(14)10-3)9(15)11-12-13/h6,15H,4-5H2,1-3H3,(H,10,14) |
| InChIKey | InChI | 1.03 | DKBFJEZTUMLWCW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1n(CCC(C)C)nnc1O |
| SMILES | CACTVS | 3.385 | CNC(=O)c1n(CCC(C)C)nnc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)CCn1c(c(nn1)O)C(=O)NC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)CCn1c(c(nn1)O)C(=O)NC |
