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

IUPACN,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
SMILESCCN(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
InChIInChI=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
InChIKeyUPTZWCQINFOLPO-QRNXMECASA-N
MW2562.38 g/mol
LogP16.73
Rot. Bonds50

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 NameN,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 CID161159886
Molecular FormulaC118H173N35O16S7
Molecular Weight2562.38 g/mol
Exact Mass2560.18
IUPAC NameN,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
SMILESCCN(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
InChIInChI=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
InChIKeyUPTZWCQINFOLPO-QRNXMECASA-N
XLogP16.73
TPSA586.66 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds50
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002562.38
LogP ≤ 516.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Analyze 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 with MolForge

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Related Compounds

6-(benzenesulfonyl)-N-[(1R)-1-phenylethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;6-(benzenesulfonyl)-N-[(4-pyridin-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;6-(benzenesulfonyl)-N-[(4-pyridin-2-ylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine;(1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]-1-cyclohexylethanol;2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]-1-cyclopentylethanol
CID 157050013
3-(cyclohexylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;1-cyclohexyl-2-[(6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethanol;N,N-diethyl-3-[(2-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(3-methylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[[4-(dimethylamino)phenyl]methylamino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[(3,4-dimethylphenyl)methylamino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 158489406
N,N-diethyl-3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(4-methylpentan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(pyridin-3-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-(2,3-dihydro-1H-inden-2-yl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(1-phenylethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 159158113
3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 159772274
3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 162192413
(3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol;(4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;(3R,4R)-4-[[[7-(cyclohexylmethylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;4-[[5-[[(3R,4R)-3-hydroxypiperidin-4-yl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide;(3R,4R)-4-[[[3-propan-2-yl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 162262786
(3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol;(3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;(3R,4R)-4-[[[7-(cyclohexylmethylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;4-[[5-[[(3R,4R)-3-hydroxypiperidin-4-yl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide;(3R,4R)-4-[[[3-propan-2-yl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 162262787

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 161159886) 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.
What is the InChIKey of 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?
The InChIKey is UPTZWCQINFOLPO-QRNXMECASA-N. The full InChI is 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.
What are the key properties of 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 has a molecular weight of 2562.38 g/mol, XLogP of 16.73, 50 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161159886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).