GZ2
Summary
| Name: | 3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one |
| Formula: | C7 H9 N5 O |
| Formal charge: | 0 |
| Formula weight: | 179.179 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one |
| OpenEye OEToolkits | 1.5.0 | 3-(1H-1,2,3,4-tetrazol-5-ylamino)cyclohex-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2C=C(Nc1nnnn1)CCC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1CCCC(=C1)Nc2[nH]nnn2 |
| SMILES | CACTVS | 3.341 | O=C1CCCC(=C1)Nc2[nH]nnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CC(=CC(=O)C1)Nc2[nH]nnn2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC(=CC(=O)C1)Nc2[nH]nnn2 |
| InChI | InChI | 1.03 | InChI=1S/C7H9N5O/c13-6-3-1-2-5(4-6)8-7-9-11-12-10-7/h4H,1-3H2,(H2,8,9,10,11,12) |
| InChIKey | InChI | 1.03 | REZXFQGPXQJVJG-UHFFFAOYSA-N |
