7E7
Summary
| Name: | 3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine |
| Formula: | C16 H14 N6 O |
| Formal charge: | 0 |
| Formula weight: | 306.322 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14N6O/c1-11-18-19-15-9-8-14(20-22(11)15)13-10-17-21(2)16(13)23-12-6-4-3-5-7-12/h3-10H,1-2H3 |
| InChIKey | InChI | 1.03 | PABNTFSOLMJZLZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(c1Oc2ccccc2)c3ccc4nnc(C)n4n3 |
| SMILES | CACTVS | 3.385 | Cn1ncc(c1Oc2ccccc2)c3ccc4nnc(C)n4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nnc2n1nc(cc2)c3cnn(c3Oc4ccccc4)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nnc2n1nc(cc2)c3cnn(c3Oc4ccccc4)C |
