A1BB6
概要
| 表記: | 3-chloro-6-(4-methylpiperazin-1-yl)-4-(pyridin-4-yl)pyridazine |
| 組成式: | C14 H16 Cl N5 |
| 電荷: | 0 |
| 化学式量: | 289.763 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 14.52 | 3-chloro-6-(4-methylpiperazin-1-yl)-4-(pyridin-4-yl)pyridazine |
| OpenEye OEToolkits | 2.0.7 | 3-chloranyl-6-(4-methylpiperazin-1-yl)-4-pyridin-4-yl-pyridazine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 14.52 | CN1CCN(CC1)c1nnc(Cl)c(c1)c1ccncc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H16ClN5/c1-19-6-8-20(9-7-19)13-10-12(14(15)18-17-13)11-2-4-16-5-3-11/h2-5,10H,6-9H2,1H3 |
| InChIKey | InChI | 1.06 | GEGHOUWQCHWMKH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2cc(c(Cl)nn2)c3ccncc3 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2cc(c(Cl)nn2)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2cc(c(nn2)Cl)c3ccncc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2cc(c(nn2)Cl)c3ccncc3 |
