K41
概要
| 表記: | 2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide |
| 組成式: | C6 H11 N5 O |
| 電荷: | 0 |
| 化学式量: | 169.184 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 | 2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide |
| OpenEye OEToolkits | 2.0.6 | 2-methyl-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)propanamide |
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 | n1nn(C)nc1NC(=O)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C6H11N5O/c1-4(2)5(12)7-6-8-10-11(3)9-6/h4H,1-3H3,(H,7,9,12) |
| InChIKey | InChI | 1.03 | MJNGPLNGGSOMFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C(=O)Nc1nnn(C)n1 |
| SMILES | CACTVS | 3.385 | CC(C)C(=O)Nc1nnn(C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)C(=O)Nc1nnn(n1)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)C(=O)Nc1nnn(n1)C |
