0UW
Summary
| Name: | 5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Formula: | C8 H7 N3 O |
| Formal charge: | 0 |
| Formula weight: | 161.161 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| OpenEye OEToolkits | 2.0.7 | 3-phenyl-1,4-dihydro-1,2,4-triazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=NN1)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C8H7N3O/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12) |
| InChIKey | InChI | 1.03 | FFSXNTGAFSVILG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NN=C(N1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | O=C1NN=C(N1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2=NNC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2=NNC(=O)N2 |
