N,N-diethyl-3-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(1R)-2-methyl-1-phenylpropyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(oxan-4-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(1R)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,3-dimethylbutylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
C118H173N35O16S7 — CID 161159886
Data last refreshed: (MolForge compound catalog, from PubChem)
About N,N-diethyl-3-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(1R)-2-methyl-1-phenylpropyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(oxan-4-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(1R)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,3-dimethylbutylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
N,N-diethyl-3-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(1R)-2-methyl-1-phenylpropyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(oxan-4-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(1R)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,3-dimethylbutylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (PubChem CID 161159886) has the molecular formula C118H173N35O16S7 and a molecular weight of 2562.38 g/mol. Its IUPAC name is N,N-diethyl-3-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(1R)-2-methyl-1-phenylpropyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(oxan-4-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(1R)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,3-dimethylbutylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.
Molecular Properties
| Compound Name | N,N-diethyl-3-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(1R)-2-methyl-1-phenylpropyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(oxan-4-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(1R)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,3-dimethylbutylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide |
|---|---|
| PubChem CID | 161159886 |
| Molecular Formula | C118H173N35O16S7 |
| Molecular Weight | 2562.38 g/mol |
| Exact Mass | 2560.18 |
| IUPAC Name | N,N-diethyl-3-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(1R)-2-methyl-1-phenylpropyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(oxan-4-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(1R)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,3-dimethylbutylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide |
| SMILES | CCN(CC)S(=O)(=O)c1ccc2nnc(NCC(C)(C)O)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCC3CCOCC3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCCC(C)(C)C)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCCC(C)C)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(N[C@@H](c3ccccc3)C(C)C)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(N[C@@H]3CCc4ccccc43)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(N[C@H](C)c3ccccc3)n2c1 |
| InChI | InChI=1S/C20H27N5O2S.C19H23N5O2S.C18H23N5O2S.C16H25N5O3S.C16H27N5O2S.C15H25N5O2S.C14H23N5O3S/c1-5-24(6-2)28(26,27)17-12-13-18-22-23-20(25(18)14-17)21-19(15(3)4)16-10-8-7-9-11-16;1-3-23(4-2)27(25,26)15-10-12-18-21-22-19(24(18)13-15)20-17-11-9-14-7-5-6-8-16(14)17;1-4-22(5-2)26(24,25)16-11-12-17-20-21-18(23(17)13-16)19-14(3)15-9-7-6-8-10-15;1-3-20(4-2)25(22,23)14-5-6-15-18-19-16(21(15)12-14)17-11-13-7-9-24-10-8-13;1-6-20(7-2)24(22,23)13-8-9-14-18-19-15(21(14)12-13)17-11-10-16(3,4)5;1-5-19(6-2)23(21,22)13-7-8-14-17-18-15(20(14)11-13)16-10-9-12(3)4;1-5-18(6-2)23(21,22)11-7-8-12-16-17-13(19(12)9-11)15-10-14(3,4)20/h7-15,19H,5-6H2,1-4H3,(H,21,23);5-8,10,12-13,17H,3-4,9,11H2,1-2H3,(H,20,22);6-14H,4-5H2,1-3H3,(H,19,21);5-6,12-13H,3-4,7-11H2,1-2H3,(H,17,19);8-9,12H,6-7,10-11H2,1-5H3,(H,17,19);7-8,11-12H,5-6,9-10H2,1-4H3,(H,16,18);7-9,20H,5-6,10H2,1-4H3,(H,15,17)/t19-;17-;14-;;;;/m111..../s1 |
| InChIKey | UPTZWCQINFOLPO-QRNXMECASA-N |
| XLogP | 16.73 |
| TPSA | 586.66 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 176 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2562.38 |
| LogP ≤ 5 | 16.73 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 44 |
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Sources
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