R2J
概要
表記: | N-methyl-1-(1-methyl-1H-indazol-3-yl)methanamine |
組成式: | C10 H13 N3 |
電荷: | 0 |
化学式量: | 175.23 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 | N-methyl-1-(1-methyl-1H-indazol-3-yl)methanamine |
OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-1-(1-methylindazol-3-yl)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 | c2c1n(C)nc(c1ccc2)CNC |
InChI | InChI | 1.03 | InChI=1S/C10H13N3/c1-11-7-9-8-5-3-4-6-10(8)13(2)12-9/h3-6,11H,7H2,1-2H3 |
InChIKey | InChI | 1.03 | XDQYKASLVAVERE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNCc1nn(C)c2ccccc12 |
SMILES | CACTVS | 3.385 | CNCc1nn(C)c2ccccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNCc1c2ccccc2n(n1)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CNCc1c2ccccc2n(n1)C |