F18
Summary
| Name: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL |
| Synonyms: | CAN508 |
| Formula: | C9 H10 N6 O |
| Formal charge: | 0 |
| Formula weight: | 218.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-[(Z)-(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol |
| OpenEye OEToolkits | 1.5.0 | 4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N(=N\c1c(nnc1N)N)\c2ccc(O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)/b13-12- |
| InChIKey | InChI | 1.03 | AYZRKFOEZQBUEA-SEYXRHQNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1[nH]nc(N)c1N=Nc2ccc(O)cc2 |
| SMILES | CACTVS | 3.385 | Nc1[nH]nc(N)c1N=Nc2ccc(O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | c1cc(ccc1/N=N\c2c([nH]nc2N)N)O |
| SMILES | OpenEye OEToolkits | 1.7.5 | c1cc(ccc1N=Nc2c([nH]nc2N)N)O |
