8DN
概要
| 表記: | 1-(3,5-dimethylphenyl)-4-methyl-1H-1,2,3-triazole |
| 組成式: | C11 H13 N3 |
| 電荷: | 0 |
| 化学式量: | 187.241 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-(3,5-dimethylphenyl)-4-methyl-1H-1,2,3-triazole |
| OpenEye OEToolkits | 2.0.7 | 1-(3,5-dimethylphenyl)-4-methyl-1,2,3-triazole |
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 | Cc1cc(C)cc(c1)n1cc(C)nn1 |
| InChI | InChI | 1.03 | InChI=1S/C11H13N3/c1-8-4-9(2)6-11(5-8)14-7-10(3)12-13-14/h4-7H,1-3H3 |
| InChIKey | InChI | 1.03 | BNUSQUIRQQKLJD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)cc(c1)n2cc(C)nn2 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)cc(c1)n2cc(C)nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)n2cc(nn2)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)n2cc(nn2)C)C |
