About 4-[[5-amino-1-[6-(benzylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(dimethylamino)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(methylamino)pyridazin-3-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-phenylsulfanylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
4-[[5-amino-1-[6-(benzylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(dimethylamino)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(methylamino)pyridazin-3-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-phenylsulfanylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide (PubChem CID 158290729) has the molecular formula C69H72N34O9S6
and a molecular weight of 1713.97 g/mol. Its IUPAC name is 4-[[5-amino-1-[6-(benzylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(dimethylamino)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(methylamino)pyridazin-3-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-phenylsulfanylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide.
Frequently Asked Questions
What is the IUPAC name of 4-[[5-amino-1-[6-(benzylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(dimethylamino)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(methylamino)pyridazin-3-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-phenylsulfanylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-amino-1-[6-(benzylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(dimethylamino)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(methylamino)pyridazin-3-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-phenylsulfanylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide (CID 158290729) is 4-[[5-amino-1-[6-(benzylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(dimethylamino)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(methylamino)pyridazin-3-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-phenylsulfanylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-amino-1-[6-(benzylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(dimethylamino)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(methylamino)pyridazin-3-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-phenylsulfanylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-amino-1-[6-(benzylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(dimethylamino)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(methylamino)pyridazin-3-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-phenylsulfanylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide is CN(C)CCOc1ccc2nc(-n3nc(Nc4ccc(S(N)(=O)=O)cc4)nc3N)sc2c1.CNc1ccc(-n2nc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)nn1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1cc(NCc2ccccc2)ncn1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1ccc(Sc2ccccc2)nn1.
What is the InChIKey of 4-[[5-amino-1-[6-(benzylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(dimethylamino)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(methylamino)pyridazin-3-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-phenylsulfanylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
The InChIKey is GLHXYHXQPOERAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9O2S.C19H22N8O3S2.C18H16N8O2S2.C13H15N9O2S/c20-18-26-19(25-14-6-8-15(9-7-14)31(21,29)30)27-28(18)17-10-16(23-12-24-17)22-11-13-4-2-1-3-5-13;1-26(2)9-10-30-13-5-8-15-16(11-13)31-19(23-15)27-17(20)24-18(25-27)22-12-3-6-14(7-4-12)32(21,28)29;19-17-22-18(21-12-6-8-14(9-7-12)30(20,27)28)25-26(17)15-10-11-16(24-23-15)29-13-4-2-1-3-5-13;1-16-10-6-7-11(20-19-10)22-12(14)18-13(21-22)17-8-2-4-9(5-3-8)25(15,23)24/h1-10,12H,11H2,(H2,21,29,30)(H,22,23,24)(H3,20,25,26,27);3-8,11H,9-10H2,1-2H3,(H2,21,28,29)(H3,20,22,24,25);1-11H,(H2,20,27,28)(H3,19,21,22,25);2-7H,1H3,(H,16,19)(H2,15,23,24)(H3,14,17,18,21).
What are the key properties of 4-[[5-amino-1-[6-(benzylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(dimethylamino)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(methylamino)pyridazin-3-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-phenylsulfanylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
4-[[5-amino-1-[6-(benzylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(dimethylamino)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(methylamino)pyridazin-3-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-phenylsulfanylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide has a molecular weight of 1713.97 g/mol, XLogP of 5.69, 26 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-amino-1-[6-(benzylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(dimethylamino)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(methylamino)pyridazin-3-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-phenylsulfanylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 158290729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).