1Q9
Summary
| Name: | N-(2-ethoxy-3,5-dimethylbenzyl)-1H-tetrazol-5-amine |
| Formula: | C12 H17 N5 O |
| Formal charge: | 0 |
| Formula weight: | 247.296 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-ethoxy-3,5-dimethylbenzyl)-1H-tetrazol-5-amine |
| OpenEye OEToolkits | 1.7.6 | N-[(2-ethoxy-3,5-dimethyl-phenyl)methyl]-1H-1,2,3,4-tetrazol-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1nnnc1NCc2c(OCC)c(cc(c2)C)C |
| InChI | InChI | 1.03 | InChI=1S/C12H17N5O/c1-4-18-11-9(3)5-8(2)6-10(11)7-13-12-14-16-17-15-12/h5-6H,4,7H2,1-3H3,(H2,13,14,15,16,17) |
| InChIKey | InChI | 1.03 | WHEQZFWVEMEFGH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOc1c(C)cc(C)cc1CNc2[nH]nnn2 |
| SMILES | CACTVS | 3.370 | CCOc1c(C)cc(C)cc1CNc2[nH]nnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOc1c(cc(cc1CNc2[nH]nnn2)C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCOc1c(cc(cc1CNc2[nH]nnn2)C)C |
