A1AJZ
Summary
| Name: | 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one |
| Formula: | C6 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 142.156 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one |
| OpenEye OEToolkits | 2.0.7 | 4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCCC=1C(=O)NNC=1C |
| InChI | InChI | 1.06 | InChI=1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h9H,2-3H2,1H3,(H2,7,8,10) |
| InChIKey | InChI | 1.06 | DJBJHPDVWKRAJB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(CCO)C(=O)NN1 |
| SMILES | CACTVS | 3.385 | CC1=C(CCO)C(=O)NN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)NN1)CCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)NN1)CCO |
