WUG
概要
| 表記: | 1-(2,4-dimethyl-1H-imidazol-5-yl)methanamine |
| 組成式: | C6 H11 N3 |
| 電荷: | 0 |
| 化学式量: | 125.172 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 1-(2,4-dimethyl-1H-imidazol-5-yl)methanamine |
| OpenEye OEToolkits | 2.0.7 | (2,4-dimethyl-1~{H}-imidazol-5-yl)methanamine |
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 | 12.01 | Cc1c(CN)nc(n1)C |
| InChI | InChI | 1.03 | InChI=1S/C6H11N3/c1-4-6(3-7)9-5(2)8-4/h3,7H2,1-2H3,(H,8,9) |
| InChIKey | InChI | 1.03 | GEZOFSFHYQGWNK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(CN)c(C)n1 |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(CN)c(C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c([nH]c(n1)C)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c([nH]c(n1)C)CN |
