3LD
Summary
| Name: | 3-hydroxy-6-(2-phenylethyl)pyridazin-4(1H)-one |
| Formula: | C12 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 216.236 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-hydroxy-6-(2-phenylethyl)pyridazin-4(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 3-oxidanyl-6-(2-phenylethyl)-1H-pyridazin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=C(NN=C1O)CCc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O2/c15-11-8-10(13-14-12(11)16)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,15)(H,14,16) |
| InChIKey | InChI | 1.03 | LQVOQKJUHJKVFE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC1=NNC(=CC1=O)CCc2ccccc2 |
| SMILES | CACTVS | 3.370 | OC1=NNC(=CC1=O)CCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCC2=CC(=O)C(=NN2)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCC2=CC(=O)C(=NN2)O |
