4-[[5-amino-1-[4-(2-aminoethylamino)pyrimidin-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-benzylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazol-1-yl]-N-methyl-1,3-benzothiazole-6-carboxamide

C65H66N34O9S6 — CID 157111503

About 4-[[5-amino-1-[4-(2-aminoethylamino)pyrimidin-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-benzylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazol-1-yl]-N-methyl-1,3-benzothiazole-6-carboxamide

4-[[5-amino-1-[4-(2-aminoethylamino)pyrimidin-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-benzylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazol-1-yl]-N-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 157111503) has the molecular formula C65H66N34O9S6 and a molecular weight of 1659.87 g/mol. Its IUPAC name is 4-[[5-amino-1-[4-(2-aminoethylamino)pyrimidin-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-benzylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazol-1-yl]-N-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

• Compound Name: 4-[[5-amino-1-[4-(2-aminoethylamino)pyrimidin-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-benzylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazol-1-yl]-N-methyl-1,3-benzothiazole-6-carboxamide
• PubChem CID: 157111503
• Molecular Formula: C65H66N34O9S6
• Molecular Weight: 1659.87 g/mol
• Exact Mass: 1658.41
• IUPAC Name: 4-[[5-amino-1-[4-(2-aminoethylamino)pyrimidin-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-benzylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazol-1-yl]-N-methyl-1,3-benzothiazole-6-carboxamide
• SMILES: CNC(=O)c1ccc2nc(-n3nc(Nc4ccc(S(N)(=O)=O)cc4)nc3N)sc2c1.Cc1csc2c(-n3nc(Nc4ccc(S(N)(=O)=O)cc4)nc3N)ncnc12.NCCNc1ccnc(-n2nc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)n1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1ccc(Cc2ccccc2)nn1
• InChI: InChI=1S/C19H18N8O2S.C17H16N8O3S2.C15H14N8O2S2.C14H18N10O2S/c20-18-23-19(22-14-6-9-16(10-7-14)30(21,28)29)26-27(18)17-11-8-15(24-25-17)12-13-4-2-1-3-5-13;1-20-14(26)9-2-7-12-13(8-9)29-17(22-12)25-15(18)23-16(24-25)21-10-3-5-11(6-4-10)30(19,27)28;1-8-6-26-12-11(8)18-7-19-13(12)23-14(16)21-15(22-23)20-9-2-4-10(5-3-9)27(17,24)25;15-6-8-18-11-5-7-19-14(21-11)24-12(16)22-13(23-24)20-9-1-3-10(4-2-9)27(17,25)26/h1-11H,12H2,(H2,21,28,29)(H3,20,22,23,26);2-8H,1H3,(H,20,26)(H2,19,27,28)(H3,18,21,23,24);2-7H,1H3,(H2,17,24,25)(H3,16,20,21,22);1-5,7H,6,8,15H2,(H2,17,25,26)(H,18,19,21)(H3,16,20,22,23)
• InChIKey: AGXDSXLRTASWDA-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 673.06 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 40
• Rotatable Bonds: 22
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1659.87
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-1-[4-(2-aminoethylamino)pyrimidin-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-benzylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazol-1-yl]-N-methyl-1,3-benzothiazole-6-carboxamide?

The IUPAC name of 4-[[5-amino-1-[4-(2-aminoethylamino)pyrimidin-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-benzylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazol-1-yl]-N-methyl-1,3-benzothiazole-6-carboxamide (CID 157111503) is 4-[[5-amino-1-[4-(2-aminoethylamino)pyrimidin-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-benzylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazol-1-yl]-N-methyl-1,3-benzothiazole-6-carboxamide.

What is the SMILES notation for 4-[[5-amino-1-[4-(2-aminoethylamino)pyrimidin-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-benzylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazol-1-yl]-N-methyl-1,3-benzothiazole-6-carboxamide?

The canonical SMILES for 4-[[5-amino-1-[4-(2-aminoethylamino)pyrimidin-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-benzylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazol-1-yl]-N-methyl-1,3-benzothiazole-6-carboxamide is CNC(=O)c1ccc2nc(-n3nc(Nc4ccc(S(N)(=O)=O)cc4)nc3N)sc2c1.Cc1csc2c(-n3nc(Nc4ccc(S(N)(=O)=O)cc4)nc3N)ncnc12.NCCNc1ccnc(-n2nc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)n1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1ccc(Cc2ccccc2)nn1.

What is the InChIKey of 4-[[5-amino-1-[4-(2-aminoethylamino)pyrimidin-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-benzylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazol-1-yl]-N-methyl-1,3-benzothiazole-6-carboxamide?

The InChIKey is AGXDSXLRTASWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2S.C17H16N8O3S2.C15H14N8O2S2.C14H18N10O2S/c20-18-23-19(22-14-6-9-16(10-7-14)30(21,28)29)26-27(18)17-11-8-15(24-25-17)12-13-4-2-1-3-5-13;1-20-14(26)9-2-7-12-13(8-9)29-17(22-12)25-15(18)23-16(24-25)21-10-3-5-11(6-4-10)30(19,27)28;1-8-6-26-12-11(8)18-7-19-13(12)23-14(16)21-15(22-23)20-9-2-4-10(5-3-9)27(17,24)25;15-6-8-18-11-5-7-19-14(21-11)24-12(16)22-13(23-24)20-9-1-3-10(4-2-9)27(17,25)26/h1-11H,12H2,(H2,21,28,29)(H3,20,22,23,26);2-8H,1H3,(H,20,26)(H2,19,27,28)(H3,18,21,23,24);2-7H,1H3,(H2,17,24,25)(H3,16,20,21,22);1-5,7H,6,8,15H2,(H2,17,25,26)(H,18,19,21)(H3,16,20,22,23).

What are the key properties of 4-[[5-amino-1-[4-(2-aminoethylamino)pyrimidin-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-benzylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazol-1-yl]-N-methyl-1,3-benzothiazole-6-carboxamide?

4-[[5-amino-1-[4-(2-aminoethylamino)pyrimidin-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-benzylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazol-1-yl]-N-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 1659.87 g/mol, XLogP of 3.79, 22 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-amino-1-[4-(2-aminoethylamino)pyrimidin-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-benzylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazol-1-yl]-N-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 157111503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).