C82
Summary
| Name: | ~{N}-(4-chlorophenyl)-1~{H}-1,2,3-triazol-5-amine |
| Formula: | C8 H7 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 194.621 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(4-chlorophenyl)-1~{H}-1,2,3-triazol-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13) |
| InChIKey | InChI | 1.03 | IUTZKZLVPUPHDA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(Nc2[nH]nnc2)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(Nc2[nH]nnc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1Nc2cnn[nH]2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1Nc2cnn[nH]2)Cl |
