LM6
概要
| 表記: | 1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine |
| 組成式: | C7 H13 N3 |
| 電荷: | 0 |
| 化学式量: | 139.198 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-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine |
| OpenEye OEToolkits | 2.0.7 | 1-(2-ethylpyrazol-3-yl)-~{N}-methyl-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 | CCn1nccc1CNC |
| InChI | InChI | 1.03 | InChI=1S/C7H13N3/c1-3-10-7(6-8-2)4-5-9-10/h4-5,8H,3,6H2,1-2H3 |
| InChIKey | InChI | 1.03 | IPBXAQNEXLMXRW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1nccc1CNC |
| SMILES | CACTVS | 3.385 | CCn1nccc1CNC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCn1c(ccn1)CNC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCn1c(ccn1)CNC |
