1-Butanesulfonamide, 3,3-dimethyl-4-((7-methyl(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)-

HCID 3073787CAS 152537-60-5

基本情報

標準SMILES: Cc1cc2ncnn2nc1OCC(C)(C)CCS(N)(=O)=O
InChIKey: LNALLUHBMZUXHQ-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, 3,3-dimethyl-4-((7-methyl(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)-
IUPAC: 3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]butane-1-sulfonamide

名称と別名

6-(2,2-Dimethyl-4-sulfamoyl-1-butoxy)-7-methyl(1,2,4)triazolo(1,5-b)pyridazine1-Butanesulfonamide, 3,3-dimethyl-4-((7-methyl(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)-152537-60-53,3-Dimethyl-4-((7-methyl(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)-1-butanesulfonamideDTXSID501650526-(2,2-dimethyl-4-sulfamoyl-1-butoxy)-7-methyl[1,2,4]triazolo[1,5-b]pyridazineRefChem:228771DTXCID8087543SCHEMBL8314483LNALLUHBMZUXHQ-UHFFFAOYSA-N3,3-Dimethyl-4-[(7-methyl[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]butane-1-sulfonamide

データベース識別子

CAS: 152537-60-5
PubChem CID: 3073787
DTXSID: DTXSID50165052

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: 6
重原子数: 21
形式電荷: 0
複雑度: 450