5WU
Summary
| Name: | 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5~{H}-indazol-4-one |
| Formula: | C10 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 194.23 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5~{H}-indazol-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O2/c1-7-10-8(3-2-4-9(10)14)12(11-7)5-6-13/h13H,2-6H2,1H3 |
| InChIKey | InChI | 1.03 | NUFKJJIXCWBCHD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nn(CCO)c2CCCC(=O)c12 |
| SMILES | CACTVS | 3.385 | Cc1nn(CCO)c2CCCC(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c2c(n(n1)CCO)CCCC2=O |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c2c(n(n1)CCO)CCCC2=O |
