WNA
概要
| 表記: | 1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine |
| 組成式: | C10 H13 N5 |
| 電荷: | 0 |
| 化学式量: | 203.244 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-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine |
| OpenEye OEToolkits | 2.0.7 | 1-methyl-~{N}-[(2-methylphenyl)methyl]-1,2,3,4-tetrazol-5-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 |
| SMILES | ACDLabs | 12.01 | c2(NCc1c(C)cccc1)nnnn2C |
| InChI | InChI | 1.03 | InChI=1S/C10H13N5/c1-8-5-3-4-6-9(8)7-11-10-12-13-14-15(10)2/h3-6H,7H2,1-2H3,(H,11,12,14) |
| InChIKey | InChI | 1.03 | CHQPGTNAKZDALZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nnnc1NCc2ccccc2C |
| SMILES | CACTVS | 3.385 | Cn1nnnc1NCc2ccccc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1CNc2nnnn2C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1CNc2nnnn2C |
