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W0J

概要
表記:(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine
組成式:C10 H16 N4
電荷:0
化学式量:192.261 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.01(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine
OpenEye OEToolkits2.0.7(3~{R})-~{N}-methyl-1-pyridazin-3-yl-piperidin-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
SMILESACDLabs12.01N1(CCCC(C1)NC)c2nnccc2
InChIInChI1.03InChI=1S/C10H16N4/c1-11-9-4-3-7-14(8-9)10-5-2-6-12-13-10/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-/m1/s1
InChIKeyInChI1.03QLSDWIHANVSIEK-SECBINFHSA-N
SMILES_CANONICALCACTVS3.385CN[C@@H]1CCCN(C1)c2cccnn2
SMILESCACTVS3.385CN[CH]1CCCN(C1)c2cccnn2
SMILES_CANONICALOpenEye OEToolkits2.0.7CN[C@@H]1CCCN(C1)c2cccnn2
SMILESOpenEye OEToolkits2.0.7CNC1CCCN(C1)c2cccnn2

222036

件を2024-07-03に公開中

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