1-Butanesulfonamide, 2-ethyl-2-(((1,2,4)triazolo(1,5-b)pyridazin-6-yloxy)methyl)-

HCID 3073783CAS 152537-56-9

基本情報

標準SMILES: CCC(CC)(COc1ccc2ncnn2n1)CS(N)(=O)=O
InChIKey: QBIBUTBKGQIKLI-UHFFFAOYSA-N
分子式: C12H19N5O3S
平均分子量: 313.38 g/mol
単同位体質量: 313.12086047

名称と識別子

優先名称: 1-Butanesulfonamide, 2-ethyl-2-(((1,2,4)triazolo(1,5-b)pyridazin-6-yloxy)methyl)-
IUPAC: 2-ethyl-2-([1,2,4]triazolo[1,5-b]pyridazin-6-yloxymethyl)butane-1-sulfonamide

名称と別名

1-Butanesulfonamide, 2-ethyl-2-(((1,2,4)triazolo(1,5-b)pyridazin-6-yloxy)methyl)-6-(2,2-Diethyl-3-sulfamoyl-1-propoxy)(1,2,4)triazolo(1,5-b)pyridazine152537-56-92-Ethyl-2-(((1,2,4)triazolo(1,5-b)pyridazin-6-yloxy)methyl)-1-butanesulfonamideDTXSID60165048RefChem:228768DTXCID4087539SCHEMBL8315804QBIBUTBKGQIKLI-UHFFFAOYSA-N6-(2,2-diethyl-3-sulfamoyl-1propoxy)[1,2,4]triazolo[1,5-b]pyridazine2-Ethyl-2-{[([1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]methyl}butane-1-sulfonamide

データベース識別子

CAS: 152537-56-9
PubChem CID: 3073783
DTXSID: DTXSID60165048
Nikkaji: J880.161D

物性

構造計算による物性

XLogP: 1.2
極性表面積: 121 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 7
重原子数: 21
形式電荷: 0
複雑度: 435