A1AQH
Summary
| Name: | 1,4,6-trimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one |
| Formula: | C9 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 177.203 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,4,6-trimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one |
| OpenEye OEToolkits | 2.0.7 | 1,4,6-trimethyl-2~{H}-pyrazolo[3,4-b]pyridin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NN(C)c2nc(C)cc(C)c12 |
| InChI | InChI | 1.06 | InChI=1S/C9H11N3O/c1-5-4-6(2)10-8-7(5)9(13)11-12(8)3/h4H,1-3H3,(H,11,13) |
| InChIKey | InChI | 1.06 | XQCLUVVQJMLNAW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1NC(=O)c2c(C)cc(C)nc12 |
| SMILES | CACTVS | 3.385 | CN1NC(=O)c2c(C)cc(C)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2c1C(=O)NN2C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2c1C(=O)NN2C)C |
