A1I2O
Summary
| Name: | 4-phenyl-1~{H}-1,2,4-triazol-5-one |
| Formula: | C8 H7 N3 O |
| Formal charge: | 0 |
| Formula weight: | 161.161 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-phenyl-1~{H}-1,2,4-triazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H7N3O/c12-8-10-9-6-11(8)7-4-2-1-3-5-7/h1-6H,(H,10,12) |
| InChIKey | InChI | 1.06 | UYVVGXZLFHZTKT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NN=CN1c2ccccc2 |
| SMILES | CACTVS | 3.385 | O=C1NN=CN1c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2C=NNC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2C=NNC2=O |
