JLX
概要
| 表記: | N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine |
| 組成式: | C16 H13 F3 N6 |
| 電荷: | 0 |
| 化学式量: | 346.31 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C16H13F3N6/c17-16(18,19)15-23-22-14-6-5-13(24-25(14)15)20-8-7-10-9-21-12-4-2-1-3-11(10)12/h1-6,9,21H,7-8H2,(H,20,24) |
| InChIKey | InChI | 1.06 | FZKFDCYCUKXFBX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1nnc2ccc(NCCc3c[nH]c4ccccc34)nn12 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1nnc2ccc(NCCc3c[nH]c4ccccc34)nn12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CCNc3ccc4nnc(n4n3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CCNc3ccc4nnc(n4n3)C(F)(F)F |
