JIP
概要
| 表記: | N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-N,1-dimethyl-3-phenyl-1H-1,2,4-triazol-5-amine |
| 組成式: | C18 H20 N8 |
| 電荷: | 0 |
| 化学式量: | 348.405 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-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-N,1-dimethyl-3-phenyl-1H-1,2,4-triazol-5-amine |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]-~{N},2-dimethyl-5-phenyl-1,2,4-triazol-3-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 | Cn1nc(nc1N(C)Cc1nc2c(C)ncc(C)n2n1)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C18H20N8/c1-12-10-19-13(2)17-20-15(22-26(12)17)11-24(3)18-21-16(23-25(18)4)14-8-6-5-7-9-14/h5-10H,11H2,1-4H3 |
| InChIKey | InChI | 1.03 | MWWCLUMIQIEDRW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1nn2c(C)cnc(C)c2n1)c3nc(nn3C)c4ccccc4 |
| SMILES | CACTVS | 3.385 | CN(Cc1nn2c(C)cnc(C)c2n1)c3nc(nn3C)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c2n1nc(n2)CN(C)c3nc(nn3C)c4ccccc4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c2n1nc(n2)CN(C)c3nc(nn3C)c4ccccc4)C |
