O2D
Summary
| Name: | 2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide |
| Formula: | C10 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 208.26 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide |
| OpenEye OEToolkits | 2.0.6 | 2-cyclohexyl-~{N}-(1,2,4-triazol-4-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(CC1CCCCC1)=O)n2cnnc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H16N4O/c15-10(13-14-7-11-12-8-14)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,13,15) |
| InChIKey | InChI | 1.03 | AOBWCUAFPHIXSM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CC1CCCCC1)Nn2cnnc2 |
| SMILES | CACTVS | 3.385 | O=C(CC1CCCCC1)Nn2cnnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1nncn1NC(=O)CC2CCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1nncn1NC(=O)CC2CCCCC2 |
