A1IGX
Summary
| Name: | 3-methyl-~{N}-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine |
| Formula: | C14 H15 N5 |
| Formal charge: | 0 |
| Formula weight: | 253.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-~{N}-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H15N5/c1-11-16-17-14-8-7-13(18-19(11)14)15-10-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,15,18) |
| InChIKey | InChI | 1.06 | PVZFGNSODNZOQM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nnc2ccc(NCCc3ccccc3)nn12 |
| SMILES | CACTVS | 3.385 | Cc1nnc2ccc(NCCc3ccccc3)nn12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1nc(cc2)NCCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1nc(cc2)NCCc3ccccc3 |
