GF4
概要
| 表記: | 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one |
| 組成式: | C7 H10 N6 O |
| 電荷: | 0 |
| 化学式量: | 194.194 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one |
| OpenEye OEToolkits | 1.5.0 | 4-ethyl-5-methyl-2-(1H-1,2,3,4-tetrazol-5-yl)-1H-pyrazol-3-one |
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 | 10.04 | O=C2C(=C(NN2c1nnnn1)C)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCC1=C(C)NN(C1=O)c2[nH]nnn2 |
| SMILES | CACTVS | 3.341 | CCC1=C(C)NN(C1=O)c2[nH]nnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC1=C(NN(C1=O)c2[nH]nnn2)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC1=C(NN(C1=O)c2[nH]nnn2)C |
| InChI | InChI | 1.03 | InChI=1S/C7H10N6O/c1-3-5-4(2)10-13(6(5)14)7-8-11-12-9-7/h10H,3H2,1-2H3,(H,8,9,11,12) |
| InChIKey | InChI | 1.03 | WAVWUEFMWJZZFB-UHFFFAOYSA-N |
