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;4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide

C66H66N34O8S5 — CID 160838219

IUPAC4-[[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;4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
SMILESCc1csc2c(-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(-c2ccccc2)nn1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1ccc(Cc2ccccc2)nn1
InChIInChI=1S/C19H18N8O2S.C18H16N8O2S.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;19-17-22-18(21-13-6-8-14(9-7-13)29(20,27)28)25-26(17)16-11-10-15(23-24-16)12-4-2-1-3-5-12;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);1-11H,(H2,20,27,28)(H3,19,21,22,25);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)
InChIKeySHRKLWIUYMFISI-UHFFFAOYSA-N
MW1623.82 g/mol
LogP4.27
Rot. Bonds22

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;4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide

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;4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide (PubChem CID 160838219) has the molecular formula C66H66N34O8S5 and a molecular weight of 1623.82 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;4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[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;4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
PubChem CID160838219
Molecular FormulaC66H66N34O8S5
Molecular Weight1623.82 g/mol
Exact Mass1622.44
IUPAC Name4-[[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;4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
SMILESCc1csc2c(-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(-c2ccccc2)nn1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1ccc(Cc2ccccc2)nn1
InChIInChI=1S/C19H18N8O2S.C18H16N8O2S.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;19-17-22-18(21-13-6-8-14(9-7-13)29(20,27)28)25-26(17)16-11-10-15(23-24-16)12-4-2-1-3-5-12;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);1-11H,(H2,20,27,28)(H3,19,21,22,25);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)
InChIKeySHRKLWIUYMFISI-UHFFFAOYSA-N
XLogP4.27
TPSA656.85 Ų
H-Bond Donors14
H-Bond Acceptors39
Rotatable Bonds22
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001623.82
LogP ≤ 54.27
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1039

Analyze 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;4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline
CID 160558480
3-[5-Amino-1-[5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrimidin-2-yl]pyrazol-3-yl]-1-[5-ethylsulfonyl-4-[3-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyrimidin-2-yl]pyrazol-5-amine
CID 175073433
4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 157106280
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
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-[[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 157118801
2-[2-(2,2-dimethylpropylsulfonyl)-1,3-thiazol-4-yl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-thiazole-2-sulfonamide
CID 157190840
2-[1-ethylsulfonyl-3-[4-[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-[4-[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]cyclopropyl]acetonitrile;2-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile;2-[1-[4-[2-[[1-(3-methylsulfonylpropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile
CID 157439060
4-[[5-amino-1-[6-[[(1R)-3-amino-1-phenylpropyl]amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[benzyl(ethyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide
CID 157577050
4-[[5-Amino-1-[6-[benzyl(2-phenylethyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(2,2-dimethylpropylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-piperazin-1-ylpyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
CID 157594927
6-Butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-4-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 157677224
N-benzyl-2-(3-methylsulfonylphenyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(3-methylsulfonylphenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 158016965
3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 158054546

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;4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
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;4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide (CID 160838219) 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;4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide.
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;4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
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;4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide is 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(-c2ccccc2)nn1.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;4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
The InChIKey is SHRKLWIUYMFISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2S.C18H16N8O2S.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;19-17-22-18(21-13-6-8-14(9-7-13)29(20,27)28)25-26(17)16-11-10-15(23-24-16)12-4-2-1-3-5-12;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);1-11H,(H2,20,27,28)(H3,19,21,22,25);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;4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
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;4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide has a molecular weight of 1623.82 g/mol, XLogP of 4.27, 22 rotatable bonds, 14 hydrogen bond donors, and 39 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;4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 160838219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).