4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-hydroxyethyl)benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-methoxyethyl)benzamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-1,2,4-triazole-3,5-diamine

C76H88N30O5S — CID 160930217

IUPAC4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-hydroxyethyl)benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-methoxyethyl)benzamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-1,2,4-triazole-3,5-diamine
SMILESCC(C)N1CCC(c2ccc(Nc3nc(N)n(-c4cc(N5CCN(C6CC6)CC5)ncn4)n3)cc2)CC1.COCCNC(=O)c1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1.COc1ccc(Nc2nc(N)n(-c3nc4ccccc4s3)n2)cc1.Nc1nc(Nc2ccc(C(=O)NCCO)cc2)nn1-c1ccccn1
InChIInChI=1S/C27H38N10.C17H19N7O2.C16H17N7O2.C16H14N6OS/c1-19(2)34-11-9-21(10-12-34)20-3-5-22(6-4-20)31-27-32-26(28)37(33-27)25-17-24(29-18-30-25)36-15-13-35(14-16-36)23-7-8-23;1-26-11-10-20-15(25)12-5-7-13(8-6-12)21-17-22-16(18)24(23-17)14-4-2-3-9-19-14;17-15-21-16(22-23(15)13-3-1-2-8-18-13)20-12-6-4-11(5-7-12)14(25)19-9-10-24;1-23-11-8-6-10(7-9-11)18-15-20-14(17)22(21-15)16-19-12-4-2-3-5-13(12)24-16/h3-6,17-19,21,23H,7-16H2,1-2H3,(H3,28,31,32,33);2-9H,10-11H2,1H3,(H,20,25)(H3,18,21,22,23);1-8,24H,9-10H2,(H,19,25)(H3,17,20,21,22);2-9H,1H3,(H3,17,18,20,21)
InChIKeySTDYFVABTVHROV-UHFFFAOYSA-N
MW1533.81 g/mol
LogP8.54
Rot. Bonds24

About 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-hydroxyethyl)benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-methoxyethyl)benzamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-1,2,4-triazole-3,5-diamine

4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-hydroxyethyl)benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-methoxyethyl)benzamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-1,2,4-triazole-3,5-diamine (PubChem CID 160930217) has the molecular formula C76H88N30O5S and a molecular weight of 1533.81 g/mol. Its IUPAC name is 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-hydroxyethyl)benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-methoxyethyl)benzamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-hydroxyethyl)benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-methoxyethyl)benzamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-1,2,4-triazole-3,5-diamine
PubChem CID160930217
Molecular FormulaC76H88N30O5S
Molecular Weight1533.81 g/mol
Exact Mass1532.73
IUPAC Name4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-hydroxyethyl)benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-methoxyethyl)benzamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-1,2,4-triazole-3,5-diamine
SMILESCC(C)N1CCC(c2ccc(Nc3nc(N)n(-c4cc(N5CCN(C6CC6)CC5)ncn4)n3)cc2)CC1.COCCNC(=O)c1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1.COc1ccc(Nc2nc(N)n(-c3nc4ccccc4s3)n2)cc1.Nc1nc(Nc2ccc(C(=O)NCCO)cc2)nn1-c1ccccn1
InChIInChI=1S/C27H38N10.C17H19N7O2.C16H17N7O2.C16H14N6OS/c1-19(2)34-11-9-21(10-12-34)20-3-5-22(6-4-20)31-27-32-26(28)37(33-27)25-17-24(29-18-30-25)36-15-13-35(14-16-36)23-7-8-23;1-26-11-10-20-15(25)12-5-7-13(8-6-12)21-17-22-16(18)24(23-17)14-4-2-3-9-19-14;17-15-21-16(22-23(15)13-3-1-2-8-18-13)20-12-6-4-11(5-7-12)14(25)19-9-10-24;1-23-11-8-6-10(7-9-11)18-15-20-14(17)22(21-15)16-19-12-4-2-3-5-13(12)24-16/h3-6,17-19,21,23H,7-16H2,1-2H3,(H3,28,31,32,33);2-9H,10-11H2,1H3,(H,20,25)(H3,18,21,22,23);1-8,24H,9-10H2,(H,19,25)(H3,17,20,21,22);2-9H,1H3,(H3,17,18,20,21)
InChIKeySTDYFVABTVHROV-UHFFFAOYSA-N
XLogP8.54
TPSA446.10 Ų
H-Bond Donors11
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001533.81
LogP ≤ 58.54
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-hydroxyethyl)benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-methoxyethyl)benzamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-1,2,4-triazole-3,5-diamine with MolForge

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Related Compounds

N,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide;bis(N-(1-ethylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine);methane;N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-methyl-2-[4-[[6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyrazol-1-yl]acetamide;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-methylpyrazol-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 157330416
3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one;1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one;1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one;3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]-7aH-imidazo[4,5-b]pyridin-3-ium;5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
CID 157685397
8-(5,6-dimethyl-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methylpyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one
CID 157703202
1-[5-(2-aminopyrimidin-4-yl)-1H-pyrazol-3-yl]-3-[(3-methoxyphenyl)methyl]urea;N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(2-fluoro-3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[1-(3-methoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
CID 157773700
8-Cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 158402105
N-(4-ethoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2-fluoro-4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]acetamide;2-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]acetonitrile;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(4-propoxyphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-pyrimidin-4-yl-1,3-benzothiazol-2-amine;methyl 4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]benzoate
CID 158746158
6-(4-ethoxyphenyl)-N,1,5,7-tetramethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one
CID 158998479
N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;1-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 159642656
6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-yloxyanilino)-6-[2-(2H-pyrrol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-6-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one
CID 159801846
Ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol
CID 159865868
8-[[2-(Cyclopenten-1-yl)thiophen-3-yl]methyl]-6-[1-(dimethylamino)ethenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[1-methyl-2-(1,3-thiazol-2-yl)pyrrol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylthiophen-2-yl)methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-[[1-methyl-5-(oxan-4-yl)triazol-4-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one
CID 160030035
1-[5-(2-aminopyrimidin-4-yl)-1H-pyrazol-3-yl]-3-[(3-methoxyphenyl)methyl]urea;N-[(2-fluoro-3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[1-(3-methoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
CID 160361665

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-hydroxyethyl)benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-methoxyethyl)benzamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-1,2,4-triazole-3,5-diamine?
The IUPAC name of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-hydroxyethyl)benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-methoxyethyl)benzamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-1,2,4-triazole-3,5-diamine (CID 160930217) is 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-hydroxyethyl)benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-methoxyethyl)benzamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-hydroxyethyl)benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-methoxyethyl)benzamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-hydroxyethyl)benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-methoxyethyl)benzamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-1,2,4-triazole-3,5-diamine is CC(C)N1CCC(c2ccc(Nc3nc(N)n(-c4cc(N5CCN(C6CC6)CC5)ncn4)n3)cc2)CC1.COCCNC(=O)c1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1.COc1ccc(Nc2nc(N)n(-c3nc4ccccc4s3)n2)cc1.Nc1nc(Nc2ccc(C(=O)NCCO)cc2)nn1-c1ccccn1.
What is the InChIKey of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-hydroxyethyl)benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-methoxyethyl)benzamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-1,2,4-triazole-3,5-diamine?
The InChIKey is STDYFVABTVHROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N10.C17H19N7O2.C16H17N7O2.C16H14N6OS/c1-19(2)34-11-9-21(10-12-34)20-3-5-22(6-4-20)31-27-32-26(28)37(33-27)25-17-24(29-18-30-25)36-15-13-35(14-16-36)23-7-8-23;1-26-11-10-20-15(25)12-5-7-13(8-6-12)21-17-22-16(18)24(23-17)14-4-2-3-9-19-14;17-15-21-16(22-23(15)13-3-1-2-8-18-13)20-12-6-4-11(5-7-12)14(25)19-9-10-24;1-23-11-8-6-10(7-9-11)18-15-20-14(17)22(21-15)16-19-12-4-2-3-5-13(12)24-16/h3-6,17-19,21,23H,7-16H2,1-2H3,(H3,28,31,32,33);2-9H,10-11H2,1H3,(H,20,25)(H3,18,21,22,23);1-8,24H,9-10H2,(H,19,25)(H3,17,20,21,22);2-9H,1H3,(H3,17,18,20,21).
What are the key properties of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-hydroxyethyl)benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-methoxyethyl)benzamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-1,2,4-triazole-3,5-diamine?
4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-hydroxyethyl)benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-methoxyethyl)benzamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-1,2,4-triazole-3,5-diamine has a molecular weight of 1533.81 g/mol, XLogP of 8.54, 24 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-hydroxyethyl)benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-methoxyethyl)benzamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-3-N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 160930217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).