KCL
Summary
| Name: | ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine |
| Formula: | C16 H16 N6 |
| Formal charge: | 0 |
| Formula weight: | 292.338 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H16N6/c1-11-19-20-16-7-6-15(21-22(11)16)17-9-8-12-10-18-14-5-3-2-4-13(12)14/h2-7,10,18H,8-9H2,1H3,(H,17,21) |
| InChIKey | InChI | 1.06 | BINRVQZAEZOQTG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nnc2ccc(NCCc3c[nH]c4ccccc34)nn12 |
| SMILES | CACTVS | 3.385 | Cc1nnc2ccc(NCCc3c[nH]c4ccccc34)nn12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1nc(cc2)NCCc3c[nH]c4c3cccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1nc(cc2)NCCc3c[nH]c4c3cccc4 |
