A1BFQ
Summary
| Name: | 1,3-dimethyl-1H-pyrazolo[3,4-d]pyridazin-7-ol |
| Formula: | C7 H8 N4 O |
| Formal charge: | 0 |
| Formula weight: | 164.165 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1,3-dimethyl-1H-pyrazolo[3,4-d]pyridazin-7-ol |
| OpenEye OEToolkits | 3.1.0.0 | 1,3-dimethylpyrazolo[3,4-d]pyridazin-7-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Oc1nncc2c1n(C)nc2C |
| InChI | InChI | 1.06 | InChI=1S/C7H8N4O/c1-4-5-3-8-9-7(12)6(5)11(2)10-4/h3H,1-2H3,(H,9,12) |
| InChIKey | InChI | 1.06 | OPCFDCSZKUXVME-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)c2cnnc(O)c12 |
| SMILES | CACTVS | 3.385 | Cn1nc(C)c2cnnc(O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c2cnnc(c2n(n1)C)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c2cnnc(c2n(n1)C)O |
