O2Q
概要
| 表記: | ~{N}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine |
| 組成式: | C14 H13 F2 N5 |
| 電荷: | 0 |
| 化学式量: | 289.283 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}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[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 | 1.03 | InChI=1S/C14H13F2N5/c1-9-17-18-13-5-6-14(19-21(9)13)20(2)8-10-3-4-11(15)12(16)7-10/h3-7H,8H2,1-2H3 |
| InChIKey | InChI | 1.03 | IMVNQFXQGOBNKJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1ccc(F)c(F)c1)c2ccc3nnc(C)n3n2 |
| SMILES | CACTVS | 3.385 | CN(Cc1ccc(F)c(F)c1)c2ccc3nnc(C)n3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1nc(cc2)N(C)Cc3ccc(c(c3)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1nc(cc2)N(C)Cc3ccc(c(c3)F)F |
