U13
Summary
| Name: | 4-(4-FLUORO-PHENYLAZO)-5-IMINO-5H-PYRAZOL-3-YLAMINE |
| Formula: | C9 H7 F N6 |
| Formal charge: | 0 |
| Formula weight: | 218.19 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3E)-4-[(E)-(4-fluorophenyl)diazenyl]-3-imino-3H-pyrazol-5-amine |
| OpenEye OEToolkits | 1.5.0 | 4-(4-fluorophenyl)diazenyl-5-imino-pyrazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Fc2ccc(/N=N/C=1C(=[N@H])N=NC=1N)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=C(N=Nc2ccc(F)cc2)C(=N)N=N1 |
| SMILES | CACTVS | 3.341 | NC1=C(N=Nc2ccc(F)cc2)C(=N)N=N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C/1\C(=C(N=N1)N)/N=N/c2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C1C(=C(N=N1)N)N=Nc2ccc(cc2)F |
| InChI | InChI | 1.03 | InChI=1S/C9H7FN6/c10-5-1-3-6(4-2-5)13-14-7-8(11)15-16-9(7)12/h1-4,11H,12H2/b11-8+,14-13+ |
| InChIKey | InChI | 1.03 | HALOLQDLOLYIOW-ZOBWXTBZSA-N |
