N-[6-amino-2-[(5-methyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;N-[4-amino-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;3-[2,4-bis[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-5-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]phenyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole;3-[2,4-bis[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-5-(3-methylphenyl)-4H-1,2,4-triazole;3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine;N-[6-methoxy-2-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;N-[4-methoxy-6-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;5-methyl-N-[4-methyl-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazole-3-carboxamide;molecular fluorine;5-phenyl-3-[6-(5-phenyl-4H-imidazol-2-yl)naphthalen-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)thiophen-2-yl]-1H-1,2,4-triazole;5-phenyl-3-[7-(5-phenyl-1H-1,2,4-triazol-3-yl)naphthalen-2-yl]-1H-1,2,4-triazole;hydrofluoride

C276H222F21N99O17S — CID 159594883

About N-[6-amino-2-[(5-methyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;N-[4-amino-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;3-[2,4-bis[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-5-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]phenyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole;3-[2,4-bis[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-5-(3-methylphenyl)-4H-1,2,4-triazole;3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine;N-[6-methoxy-2-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;N-[4-methoxy-6-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;5-methyl-N-[4-methyl-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazole-3-carboxamide;molecular fluorine;5-phenyl-3-[6-(5-phenyl-4H-imidazol-2-yl)naphthalen-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)thiophen-2-yl]-1H-1,2,4-triazole;5-phenyl-3-[7-(5-phenyl-1H-1,2,4-triazol-3-yl)naphthalen-2-yl]-1H-1,2,4-triazole;hydrofluoride

N-[6-amino-2-[(5-methyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;N-[4-amino-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;3-[2,4-bis[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-5-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]phenyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole;3-[2,4-bis[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-5-(3-methylphenyl)-4H-1,2,4-triazole;3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine;N-[6-methoxy-2-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;N-[4-methoxy-6-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;5-methyl-N-[4-methyl-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazole-3-carboxamide;molecular fluorine;5-phenyl-3-[6-(5-phenyl-4H-imidazol-2-yl)naphthalen-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)thiophen-2-yl]-1H-1,2,4-triazole;5-phenyl-3-[7-(5-phenyl-1H-1,2,4-triazol-3-yl)naphthalen-2-yl]-1H-1,2,4-triazole;hydrofluoride (PubChem CID 159594883) has the molecular formula C276H222F21N99O17S and a molecular weight of 5628.51 g/mol. Its IUPAC name is N-[6-amino-2-[(5-methyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;N-[4-amino-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;3-[2,4-bis[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-5-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]phenyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole;3-[2,4-bis[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-5-(3-methylphenyl)-4H-1,2,4-triazole;3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine;N-[6-methoxy-2-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;N-[4-methoxy-6-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;5-methyl-N-[4-methyl-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazole-3-carboxamide;molecular fluorine;5-phenyl-3-[6-(5-phenyl-4H-imidazol-2-yl)naphthalen-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)thiophen-2-yl]-1H-1,2,4-triazole;5-phenyl-3-[7-(5-phenyl-1H-1,2,4-triazol-3-yl)naphthalen-2-yl]-1H-1,2,4-triazole;hydrofluoride.

Molecular Properties

• Compound Name: N-[6-amino-2-[(5-methyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;N-[4-amino-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;3-[2,4-bis[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-5-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]phenyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole;3-[2,4-bis[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-5-(3-methylphenyl)-4H-1,2,4-triazole;3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine;N-[6-methoxy-2-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;N-[4-methoxy-6-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;5-methyl-N-[4-methyl-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazole-3-carboxamide;molecular fluorine;5-phenyl-3-[6-(5-phenyl-4H-imidazol-2-yl)naphthalen-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)thiophen-2-yl]-1H-1,2,4-triazole;5-phenyl-3-[7-(5-phenyl-1H-1,2,4-triazol-3-yl)naphthalen-2-yl]-1H-1,2,4-triazole;hydrofluoride
• PubChem CID: 159594883
• Molecular Formula: C276H222F21N99O17S
• Molecular Weight: 5628.51 g/mol
• Exact Mass: 5624.89
• IUPAC Name: N-[6-amino-2-[(5-methyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;N-[4-amino-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;3-[2,4-bis[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-5-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]phenyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole;3-[2,4-bis[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-5-(3-methylphenyl)-4H-1,2,4-triazole;3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine;N-[6-methoxy-2-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;N-[4-methoxy-6-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;5-methyl-N-[4-methyl-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazole-3-carboxamide;molecular fluorine;5-phenyl-3-[6-(5-phenyl-4H-imidazol-2-yl)naphthalen-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)thiophen-2-yl]-1H-1,2,4-triazole;5-phenyl-3-[7-(5-phenyl-1H-1,2,4-triazol-3-yl)naphthalen-2-yl]-1H-1,2,4-triazole;hydrofluoride
• SMILES: CC1=NN=C(C(=O)Nc2nc(C)nc(NC(=O)c3n[nH]c(C)n3)n2)C1.CC1=NN=C(C(=O)Nc2nc(N)cc(NC(=O)c3n[nH]c(C)n3)n2)C1.CC1=NN=C(C(=O)Nc2nc(N)nc(NC(=O)c3n[nH]c(C)n3)n2)C1.COc1cc(NC(=O)c2nc(-c3ccccc3)n[nH]2)nc(NC(=O)C2=NN=C(c3ccccc3)C2)n1.COc1cccc(-c2n[nH]c(-c3cc(-c4nc(-c5cccc(OC)c5)n[nH]4)c(-c4nnc(-c5cccc(OC)c5)[nH]4)cc3-c3nnc(-c4cccc(OC)c4)[nH]3)n2)c1.COc1nc(NC(=O)C2=NN=C(c3ccccc3)C2)nc(NC(=O)c2nc(-c3ccccc3)n[nH]2)n1.Cc1cccc(-c2n[nH]c(-c3ccc(-c4nnc(-c5cccc(C)c5)[nH]4)c(-c4nc(-c5cccc(C)c5)n[nH]4)c3)n2)c1.F.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.c1ccc(-c2nc(-c3ccc4ccc(-c5n[nH]c(-c6ccccc6)n5)cc4c3)n[nH]2)cc1.c1ccc(-c2nc(-c3cncc(-c4n[nH]c(-c5ccccc5)n4)c3)n[nH]2)cc1.c1ccc(C2=NC(c3ccc4cc(-c5n[nH]c(-c6ccccc6)n5)ccc4c3)=NC2)cc1.c1ccc(C2=NN=C(c3ccc(-c4nc(-c5ccccc5)n[nH]4)o3)C2)cc1.c1ccc(C2=NN=C(c3ccc(-c4nc(-c5ccccc5)n[nH]4)s3)C2)cc1
• InChI: InChI=1S/C42H34N12O4.C33H27N9.C27H19N5.C26H18N6.C24H19N9O3.C23H18N10O3.C21H15N7.C21H15N5O.C21H15N5S.2C13H14N10O2.C12H13N11O2.10F2.FH/c1-55-27-13-5-9-23(17-27)35-43-39(51-47-35)31-21-33(41-45-37(49-53-41)25-11-7-15-29(19-25)57-3)34(42-46-38(50-54-42)26-12-8-16-30(20-26)58-4)22-32(31)40-44-36(48-52-40)24-10-6-14-28(18-24)56-2;1-19-7-4-10-22(15-19)28-34-31(38-37-28)25-13-14-26(32-35-29(39-41-32)23-11-5-8-20(2)16-23)27(18-25)33-36-30(40-42-33)24-12-6-9-21(3)17-24;1-3-7-18(8-4-1)24-17-28-25(29-24)22-13-11-21-16-23(14-12-20(21)15-22)27-30-26(31-32-27)19-9-5-2-6-10-19;1-3-7-18(8-4-1)23-27-25(31-29-23)20-13-11-17-12-14-21(16-22(17)15-20)26-28-24(30-32-26)19-9-5-2-6-10-19;1-36-19-13-18(25-23(35)21-28-20(32-33-21)15-10-6-3-7-11-15)26-24(27-19)29-22(34)17-12-16(30-31-17)14-8-4-2-5-9-14;1-36-23-28-21(25-19(34)16-12-15(30-31-16)13-8-4-2-5-9-13)27-22(29-23)26-20(35)18-24-17(32-33-18)14-10-6-3-7-11-14;1-3-7-14(8-4-1)18-23-20(27-25-18)16-11-17(13-22-12-16)21-24-19(26-28-21)15-9-5-2-6-10-15;2*1-3-7-14(8-4-1)16-13-17(24-23-16)18-11-12-19(27-18)21-22-20(25-26-21)15-9-5-2-6-10-15;1-5-4-8(22-20-5)10(24)17-12-15-6(2)16-13(19-12)18-11(25)9-14-7(3)21-23-9;1-5-3-7(22-20-5)11(24)19-13-16-8(14)4-9(18-13)17-12(25)10-15-6(2)21-23-10;1-4-3-6(22-20-4)8(24)15-11-17-10(13)18-12(19-11)16-9(25)7-14-5(2)21-23-7;10*1-2;/h5-22H,1-4H3,(H,43,47,51)(H,44,48,52)(H,45,49,53)(H,46,50,54);4-18H,1-3H3,(H,34,37,38)(H,35,39,41)(H,36,40,42);1-16H,17H2,(H,30,31,32);1-16H,(H,27,29,31)(H,28,30,32);2-11,13H,12H2,1H3,(H,28,32,33)(H2,25,26,27,29,34,35);2-11H,12H2,1H3,(H,24,32,33)(H2,25,26,27,28,29,34,35);1-13H,(H,23,25,27)(H,24,26,28);2*1-12H,13H2,(H,22,25,26);4H2,1-3H3,(H,14,21,23)(H2,15,16,17,18,19,24,25);4H,3H2,1-2H3,(H,15,21,23)(H4,14,16,17,18,19,24,25);3H2,1-2H3,(H,14,21,23)(H4,13,15,16,17,18,19,24,25);;;;;;;;;;;1H
• InChIKey: MKSAYEAOYIQISX-UHFFFAOYSA-N
• XLogP: 51.47
• TPSA: 1579.61 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 88
• Rotatable Bonds: 64
• Heavy Atoms: 414
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5628.51
LogP ≤ 5	51.47
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	88

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-2-[(5-methyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;N-[4-amino-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;3-[2,4-bis[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-5-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]phenyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole;3-[2,4-bis[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-5-(3-methylphenyl)-4H-1,2,4-triazole;3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine;N-[6-methoxy-2-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;N-[4-methoxy-6-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;5-methyl-N-[4-methyl-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazole-3-carboxamide;molecular fluorine;5-phenyl-3-[6-(5-phenyl-4H-imidazol-2-yl)naphthalen-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)thiophen-2-yl]-1H-1,2,4-triazole;5-phenyl-3-[7-(5-phenyl-1H-1,2,4-triazol-3-yl)naphthalen-2-yl]-1H-1,2,4-triazole;hydrofluoride?

The IUPAC name of N-[6-amino-2-[(5-methyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;N-[4-amino-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;3-[2,4-bis[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-5-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]phenyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole;3-[2,4-bis[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-5-(3-methylphenyl)-4H-1,2,4-triazole;3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine;N-[6-methoxy-2-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;N-[4-methoxy-6-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;5-methyl-N-[4-methyl-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazole-3-carboxamide;molecular fluorine;5-phenyl-3-[6-(5-phenyl-4H-imidazol-2-yl)naphthalen-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)thiophen-2-yl]-1H-1,2,4-triazole;5-phenyl-3-[7-(5-phenyl-1H-1,2,4-triazol-3-yl)naphthalen-2-yl]-1H-1,2,4-triazole;hydrofluoride (CID 159594883) is N-[6-amino-2-[(5-methyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;N-[4-amino-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;3-[2,4-bis[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-5-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]phenyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole;3-[2,4-bis[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-5-(3-methylphenyl)-4H-1,2,4-triazole;3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine;N-[6-methoxy-2-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;N-[4-methoxy-6-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;5-methyl-N-[4-methyl-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazole-3-carboxamide;molecular fluorine;5-phenyl-3-[6-(5-phenyl-4H-imidazol-2-yl)naphthalen-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)thiophen-2-yl]-1H-1,2,4-triazole;5-phenyl-3-[7-(5-phenyl-1H-1,2,4-triazol-3-yl)naphthalen-2-yl]-1H-1,2,4-triazole;hydrofluoride.

What is the SMILES notation for N-[6-amino-2-[(5-methyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;N-[4-amino-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;3-[2,4-bis[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-5-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]phenyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole;3-[2,4-bis[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-5-(3-methylphenyl)-4H-1,2,4-triazole;3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine;N-[6-methoxy-2-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;N-[4-methoxy-6-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;5-methyl-N-[4-methyl-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazole-3-carboxamide;molecular fluorine;5-phenyl-3-[6-(5-phenyl-4H-imidazol-2-yl)naphthalen-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)thiophen-2-yl]-1H-1,2,4-triazole;5-phenyl-3-[7-(5-phenyl-1H-1,2,4-triazol-3-yl)naphthalen-2-yl]-1H-1,2,4-triazole;hydrofluoride?

The canonical SMILES for N-[6-amino-2-[(5-methyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;N-[4-amino-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;3-[2,4-bis[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-5-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]phenyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole;3-[2,4-bis[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-5-(3-methylphenyl)-4H-1,2,4-triazole;3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine;N-[6-methoxy-2-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;N-[4-methoxy-6-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;5-methyl-N-[4-methyl-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazole-3-carboxamide;molecular fluorine;5-phenyl-3-[6-(5-phenyl-4H-imidazol-2-yl)naphthalen-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)thiophen-2-yl]-1H-1,2,4-triazole;5-phenyl-3-[7-(5-phenyl-1H-1,2,4-triazol-3-yl)naphthalen-2-yl]-1H-1,2,4-triazole;hydrofluoride is CC1=NN=C(C(=O)Nc2nc(C)nc(NC(=O)c3n[nH]c(C)n3)n2)C1.CC1=NN=C(C(=O)Nc2nc(N)cc(NC(=O)c3n[nH]c(C)n3)n2)C1.CC1=NN=C(C(=O)Nc2nc(N)nc(NC(=O)c3n[nH]c(C)n3)n2)C1.COc1cc(NC(=O)c2nc(-c3ccccc3)n[nH]2)nc(NC(=O)C2=NN=C(c3ccccc3)C2)n1.COc1cccc(-c2n[nH]c(-c3cc(-c4nc(-c5cccc(OC)c5)n[nH]4)c(-c4nnc(-c5cccc(OC)c5)[nH]4)cc3-c3nnc(-c4cccc(OC)c4)[nH]3)n2)c1.COc1nc(NC(=O)C2=NN=C(c3ccccc3)C2)nc(NC(=O)c2nc(-c3ccccc3)n[nH]2)n1.Cc1cccc(-c2n[nH]c(-c3ccc(-c4nnc(-c5cccc(C)c5)[nH]4)c(-c4nc(-c5cccc(C)c5)n[nH]4)c3)n2)c1.F.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.c1ccc(-c2nc(-c3ccc4ccc(-c5n[nH]c(-c6ccccc6)n5)cc4c3)n[nH]2)cc1.c1ccc(-c2nc(-c3cncc(-c4n[nH]c(-c5ccccc5)n4)c3)n[nH]2)cc1.c1ccc(C2=NC(c3ccc4cc(-c5n[nH]c(-c6ccccc6)n5)ccc4c3)=NC2)cc1.c1ccc(C2=NN=C(c3ccc(-c4nc(-c5ccccc5)n[nH]4)o3)C2)cc1.c1ccc(C2=NN=C(c3ccc(-c4nc(-c5ccccc5)n[nH]4)s3)C2)cc1.

What is the InChIKey of N-[6-amino-2-[(5-methyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;N-[4-amino-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;3-[2,4-bis[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-5-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]phenyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole;3-[2,4-bis[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-5-(3-methylphenyl)-4H-1,2,4-triazole;3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine;N-[6-methoxy-2-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;N-[4-methoxy-6-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;5-methyl-N-[4-methyl-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazole-3-carboxamide;molecular fluorine;5-phenyl-3-[6-(5-phenyl-4H-imidazol-2-yl)naphthalen-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)thiophen-2-yl]-1H-1,2,4-triazole;5-phenyl-3-[7-(5-phenyl-1H-1,2,4-triazol-3-yl)naphthalen-2-yl]-1H-1,2,4-triazole;hydrofluoride?

The InChIKey is MKSAYEAOYIQISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N12O4.C33H27N9.C27H19N5.C26H18N6.C24H19N9O3.C23H18N10O3.C21H15N7.C21H15N5O.C21H15N5S.2C13H14N10O2.C12H13N11O2.10F2.FH/c1-55-27-13-5-9-23(17-27)35-43-39(51-47-35)31-21-33(41-45-37(49-53-41)25-11-7-15-29(19-25)57-3)34(42-46-38(50-54-42)26-12-8-16-30(20-26)58-4)22-32(31)40-44-36(48-52-40)24-10-6-14-28(18-24)56-2;1-19-7-4-10-22(15-19)28-34-31(38-37-28)25-13-14-26(32-35-29(39-41-32)23-11-5-8-20(2)16-23)27(18-25)33-36-30(40-42-33)24-12-6-9-21(3)17-24;1-3-7-18(8-4-1)24-17-28-25(29-24)22-13-11-21-16-23(14-12-20(21)15-22)27-30-26(31-32-27)19-9-5-2-6-10-19;1-3-7-18(8-4-1)23-27-25(31-29-23)20-13-11-17-12-14-21(16-22(17)15-20)26-28-24(30-32-26)19-9-5-2-6-10-19;1-36-19-13-18(25-23(35)21-28-20(32-33-21)15-10-6-3-7-11-15)26-24(27-19)29-22(34)17-12-16(30-31-17)14-8-4-2-5-9-14;1-36-23-28-21(25-19(34)16-12-15(30-31-16)13-8-4-2-5-9-13)27-22(29-23)26-20(35)18-24-17(32-33-18)14-10-6-3-7-11-14;1-3-7-14(8-4-1)18-23-20(27-25-18)16-11-17(13-22-12-16)21-24-19(26-28-21)15-9-5-2-6-10-15;2*1-3-7-14(8-4-1)16-13-17(24-23-16)18-11-12-19(27-18)21-22-20(25-26-21)15-9-5-2-6-10-15;1-5-4-8(22-20-5)10(24)17-12-15-6(2)16-13(19-12)18-11(25)9-14-7(3)21-23-9;1-5-3-7(22-20-5)11(24)19-13-16-8(14)4-9(18-13)17-12(25)10-15-6(2)21-23-10;1-4-3-6(22-20-4)8(24)15-11-17-10(13)18-12(19-11)16-9(25)7-14-5(2)21-23-7;10*1-2;/h5-22H,1-4H3,(H,43,47,51)(H,44,48,52)(H,45,49,53)(H,46,50,54);4-18H,1-3H3,(H,34,37,38)(H,35,39,41)(H,36,40,42);1-16H,17H2,(H,30,31,32);1-16H,(H,27,29,31)(H,28,30,32);2-11,13H,12H2,1H3,(H,28,32,33)(H2,25,26,27,29,34,35);2-11H,12H2,1H3,(H,24,32,33)(H2,25,26,27,28,29,34,35);1-13H,(H,23,25,27)(H,24,26,28);2*1-12H,13H2,(H,22,25,26);4H2,1-3H3,(H,14,21,23)(H2,15,16,17,18,19,24,25);4H,3H2,1-2H3,(H,15,21,23)(H4,14,16,17,18,19,24,25);3H2,1-2H3,(H,14,21,23)(H4,13,15,16,17,18,19,24,25);;;;;;;;;;;1H.

What are the key properties of N-[6-amino-2-[(5-methyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;N-[4-amino-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;3-[2,4-bis[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-5-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]phenyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole;3-[2,4-bis[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-5-(3-methylphenyl)-4H-1,2,4-triazole;3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine;N-[6-methoxy-2-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;N-[4-methoxy-6-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;5-methyl-N-[4-methyl-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazole-3-carboxamide;molecular fluorine;5-phenyl-3-[6-(5-phenyl-4H-imidazol-2-yl)naphthalen-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)thiophen-2-yl]-1H-1,2,4-triazole;5-phenyl-3-[7-(5-phenyl-1H-1,2,4-triazol-3-yl)naphthalen-2-yl]-1H-1,2,4-triazole;hydrofluoride?

N-[6-amino-2-[(5-methyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;N-[4-amino-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;3-[2,4-bis[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-5-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]phenyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole;3-[2,4-bis[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-5-(3-methylphenyl)-4H-1,2,4-triazole;3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine;N-[6-methoxy-2-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;N-[4-methoxy-6-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;5-methyl-N-[4-methyl-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazole-3-carboxamide;molecular fluorine;5-phenyl-3-[6-(5-phenyl-4H-imidazol-2-yl)naphthalen-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)thiophen-2-yl]-1H-1,2,4-triazole;5-phenyl-3-[7-(5-phenyl-1H-1,2,4-triazol-3-yl)naphthalen-2-yl]-1H-1,2,4-triazole;hydrofluoride has a molecular weight of 5628.51 g/mol, XLogP of 51.47, 64 rotatable bonds, 31 hydrogen bond donors, and 88 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-amino-2-[(5-methyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;N-[4-amino-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide;3-[2,4-bis[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-5-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]phenyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole;3-[2,4-bis[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-5-(3-methylphenyl)-4H-1,2,4-triazole;3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine;N-[6-methoxy-2-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]pyrimidin-4-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;N-[4-methoxy-6-[(5-phenyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-3-phenyl-1H-1,2,4-triazole-5-carboxamide;5-methyl-N-[4-methyl-6-[(5-methyl-4H-pyrazole-3-carbonyl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazole-3-carboxamide;molecular fluorine;5-phenyl-3-[6-(5-phenyl-4H-imidazol-2-yl)naphthalen-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)furan-2-yl]-1H-1,2,4-triazole;3-phenyl-5-[5-(5-phenyl-4H-pyrazol-3-yl)thiophen-2-yl]-1H-1,2,4-triazole;5-phenyl-3-[7-(5-phenyl-1H-1,2,4-triazol-3-yl)naphthalen-2-yl]-1H-1,2,4-triazole;hydrofluoride is sourced from PubChem (CID 159594883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).