About 3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;4-N-(3,4-dimethoxy-5-methylphenyl)-2-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine;methyl 4-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetaldehyde
3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;4-N-(3,4-dimethoxy-5-methylphenyl)-2-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine;methyl 4-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetaldehyde (PubChem CID 158977730) has the molecular formula C155H168N58O16
and a molecular weight of 3099.44 g/mol. Its IUPAC name is 3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;4-N-(3,4-dimethoxy-5-methylphenyl)-2-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine;methyl 4-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetaldehyde.
Frequently Asked Questions
What is the IUPAC name of 3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;4-N-(3,4-dimethoxy-5-methylphenyl)-2-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine;methyl 4-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetaldehyde?
The IUPAC name of 3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;4-N-(3,4-dimethoxy-5-methylphenyl)-2-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine;methyl 4-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetaldehyde (CID 158977730) is 3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;4-N-(3,4-dimethoxy-5-methylphenyl)-2-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine;methyl 4-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetaldehyde.
What is the SMILES notation for 3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;4-N-(3,4-dimethoxy-5-methylphenyl)-2-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine;methyl 4-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetaldehyde?
The canonical SMILES for 3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;4-N-(3,4-dimethoxy-5-methylphenyl)-2-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine;methyl 4-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetaldehyde is CC(C)(C)c1cc(Nc2ncnc(Nc3ccc(C(N)=O)cc3)n2)n[nH]1.CC(C)(C)c1cc(Nc2ncnc(Nc3ccc(CO)cc3)n2)n[nH]1.CC(C)(C)c1cc(Nc2ncnc(Nc3cccc(C(N)=O)c3)n2)n[nH]1.CC(C)(C)c1cc(Nc2ncnc(Nc3cccc(CO)c3)n2)n[nH]1.COC(=O)c1ccc(-c2cc(Nc3ncnc(Nc4cc(OC)c(OC)c(OC)c4)n3)n[nH]2)cc1.COc1cc(Nc2ncnc(Nc3cc(-c4ccc(C)cc4)[nH]n3)n2)cc(OC)c1OC.COc1ccc(-c2cc(Nc3ncnc(Nc4cc(C)c(OC)c(OC)c4)n3)n[nH]2)cc1.O=CCc1ccc(Nc2ncnc(Nc3cc(-c4ccccc4)[nH]n3)n2)cc1.
What is the InChIKey of 3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;4-N-(3,4-dimethoxy-5-methylphenyl)-2-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine;methyl 4-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetaldehyde?
The InChIKey is JOPJQDSPSKVPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O5.2C22H23N7O3.C20H17N7O.2C17H20N8O.2C17H21N7O/c1-32-17-9-15(10-18(33-2)20(17)34-3)26-22-24-12-25-23(28-22)27-19-11-16(29-30-19)13-5-7-14(8-6-13)21(31)35-4;1-13-9-15(10-18(31-3)20(13)32-4)25-21-23-12-24-22(27-21)26-19-11-17(28-29-19)14-5-7-16(30-2)8-6-14;1-13-5-7-14(8-6-13)16-11-19(29-28-16)26-22-24-12-23-21(27-22)25-15-9-17(30-2)20(32-4)18(10-15)31-3;28-11-10-14-6-8-16(9-7-14)23-19-21-13-22-20(25-19)24-18-12-17(26-27-18)15-4-2-1-3-5-15;1-17(2,3)12-8-13(25-24-12)22-16-20-9-19-15(23-16)21-11-6-4-10(5-7-11)14(18)26;1-17(2,3)12-8-13(25-24-12)22-16-20-9-19-15(23-16)21-11-6-4-5-10(7-11)14(18)26;1-17(2,3)13-8-14(24-23-13)21-16-19-10-18-15(22-16)20-12-6-4-11(9-25)5-7-12;1-17(2,3)13-8-14(24-23-13)21-16-19-10-18-15(22-16)20-12-6-4-5-11(7-12)9-25/h5-12H,1-4H3,(H3,24,25,26,27,28,29,30);2*5-12H,1-4H3,(H3,23,24,25,26,27,28,29);1-9,11-13H,10H2,(H3,21,22,23,24,25,26,27);2*4-9H,1-3H3,(H2,18,26)(H3,19,20,21,22,23,24,25);2*4-8,10,25H,9H2,1-3H3,(H3,18,19,20,21,22,23,24).
What are the key properties of 3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;4-N-(3,4-dimethoxy-5-methylphenyl)-2-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine;methyl 4-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetaldehyde?
3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;4-N-(3,4-dimethoxy-5-methylphenyl)-2-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine;methyl 4-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetaldehyde has a molecular weight of 3099.44 g/mol, XLogP of 25.92, 52 rotatable bonds, 28 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzamide;[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol;4-N-(3,4-dimethoxy-5-methylphenyl)-2-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine;methyl 4-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetaldehyde is sourced from PubChem (CID 158977730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).