Q9Z
Summary
| Name: | 3-(3-methylbutyl)-4~{H}-1,2,3-triazol-5-one |
| Formula: | C7 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 155.198 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(3-methylbutyl)-4~{H}-1,2,3-triazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H13N3O/c1-6(2)3-4-10-5-7(11)8-9-10/h6H,3-5H2,1-2H3 |
| InChIKey | InChI | 1.03 | NRFSJPLMHMLGTM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCN1CC(=O)N=N1 |
| SMILES | CACTVS | 3.385 | CC(C)CCN1CC(=O)N=N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)CCN1CC(=O)N=N1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)CCN1CC(=O)N=N1 |
