WDZ
Summary
| Name: | methyl (5-cyclopentyl-1H-tetrazol-1-yl)acetate |
| Formula: | C9 H14 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 210.233 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (5-cyclopentyl-1H-tetrazol-1-yl)acetate |
| OpenEye OEToolkits | 2.0.7 | methyl 2-(5-cyclopentyl-1,2,3,4-tetrazol-1-yl)ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COC(=O)Cn1nnnc1C1CCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C9H14N4O2/c1-15-8(14)6-13-9(10-11-12-13)7-4-2-3-5-7/h7H,2-6H2,1H3 |
| InChIKey | InChI | 1.06 | WCYQRJAOQBHETC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)Cn1nnnc1C2CCCC2 |
| SMILES | CACTVS | 3.385 | COC(=O)Cn1nnnc1C2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)Cn1c(nnn1)C2CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)Cn1c(nnn1)C2CCCC2 |
