6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-ethynyl-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazin-6-yl]acetonitrile;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxylate

C259H209Cl20N63O33 — CID 163821753

About 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-ethynyl-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazin-6-yl]acetonitrile;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxylate

6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-ethynyl-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazin-6-yl]acetonitrile;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxylate (PubChem CID 163821753) has the molecular formula C259H209Cl20N63O33 and a molecular weight of 5440.99 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-ethynyl-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazin-6-yl]acetonitrile;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxylate.

Molecular Properties

• Compound Name: 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-ethynyl-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazin-6-yl]acetonitrile;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxylate
• PubChem CID: 163821753
• Molecular Formula: C259H209Cl20N63O33
• Molecular Weight: 5440.99 g/mol
• Exact Mass: 5428.04
• IUPAC Name: 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-ethynyl-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazin-6-yl]acetonitrile;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxylate
• SMILES: C#CC1=NN(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)C(=O)NC1=C.C=C1NC(=O)N(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4c3)c(C)c2)N=C1C#N.C=C1NC(=O)N(c2cc(C)c(Oc3ccc4[nH]cc(C(C)C)c4c3)c(C)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1C(=O)O.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1C(N)=O.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CC#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(-c5ccccc5)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(=O)OC)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(C)C)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(C)c5ccccc5)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C5CCCC5)c4c3)c(Cl)c2)N=C1C#N
• InChI: InChI=1S/C27H19Cl2N5O2.C25H15Cl2N5O2.C25H25N5O.C24H19Cl2N5O2.C24H23N5O2.C22H17Cl2N5O2.C21H13Cl2N5O4.C19H16Cl2N6O3.C19H15Cl2N5O3.C18H16Cl2N6O4.C18H15Cl2N5O5.C17H16Cl2N6O3/c1-15(17-6-4-3-5-7-17)21-14-31-24-9-8-19(12-20(21)24)36-26-22(28)10-18(11-23(26)29)34-27(35)32-16(2)25(13-30)33-34;1-14-23(12-28)31-32(25(33)30-14)16-9-20(26)24(21(27)10-16)34-17-7-8-22-18(11-17)19(13-29-22)15-5-3-2-4-6-15;1-14(2)22-13-27-23-7-6-18(11-21(22)23)10-20-15(3)8-19(9-16(20)4)30-25(31)28-17(5)24(12-26)29-30;1-13-22(11-27)30-31(24(32)29-13)15-8-19(25)23(20(26)9-15)33-16-6-7-21-17(10-16)18(12-28-21)14-4-2-3-5-14;1-13(2)20-12-26-21-7-6-18(10-19(20)21)31-23-14(3)8-17(9-15(23)4)29-24(30)27-16(5)22(11-25)28-29;1-11(2)16-10-26-19-5-4-14(8-15(16)19)31-21-17(23)6-13(7-18(21)24)29-22(30)27-12(3)20(9-25)28-29;1-10-18(8-24)27-28(21(30)26-10)11-5-15(22)19(16(23)6-11)32-12-3-4-17-13(7-12)14(9-25-17)20(29)31-2;1-9(2)12-8-16(24-25-18(12)28)30-17-13(20)6-11(7-14(17)21)27-19(29)23-10(3)15(26-27)4-5-22;1-5-15-10(4)22-19(28)26(25-15)11-6-13(20)17(14(21)7-11)29-16-8-12(9(2)3)18(27)24-23-16;1-7(2)10-6-13(23-24-17(10)28)30-15-11(19)4-9(5-12(15)20)26-18(29)22-8(3)14(25-26)16(21)27;1-7(2)10-6-13(22-23-16(10)26)30-15-11(19)4-9(5-12(15)20)25-18(29)21-8(3)14(24-25)17(27)28;1-7(2)10-6-13(22-23-16(10)26)28-14-11(18)4-9(5-12(14)19)25-17(27)21-8(3)15(20)24-25/h3-12,14-15,31H,2H2,1H3,(H,32,35);2-11,13,29H,1H2,(H,30,33);6-9,11,13-14,27H,5,10H2,1-4H3,(H,28,31);6-10,12,14,28H,1-5H2,(H,29,32);6-10,12-13,26H,5H2,1-4H3,(H,27,30);4-8,10-11,26H,3H2,1-2H3,(H,27,30);3-7,9,25H,1H2,2H3,(H,26,30);6-9H,3-4H2,1-2H3,(H,23,29)(H,25,28);1,6-9H,4H2,2-3H3,(H,22,28)(H,24,27);4-7H,3H2,1-2H3,(H2,21,27)(H,22,29)(H,24,28);4-7H,3H2,1-2H3,(H,21,29)(H,23,26)(H,27,28);4-7H,3H2,1-2H3,(H2,20,24)(H,21,27)(H,23,26)
• InChIKey: NWAGUFBLDMYZIV-UHFFFAOYSA-N
• XLogP: 61.37
• TPSA: 1300.24 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 58
• Rotatable Bonds: 52
• Heavy Atoms: 375
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5440.99
LogP ≤ 5	61.37
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	58

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-ethynyl-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazin-6-yl]acetonitrile;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxylate?

The IUPAC name of 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-ethynyl-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazin-6-yl]acetonitrile;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxylate (CID 163821753) is 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-ethynyl-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazin-6-yl]acetonitrile;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxylate.

What is the SMILES notation for 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-ethynyl-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazin-6-yl]acetonitrile;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxylate?

The canonical SMILES for 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-ethynyl-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazin-6-yl]acetonitrile;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxylate is C#CC1=NN(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)C(=O)NC1=C.C=C1NC(=O)N(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4c3)c(C)c2)N=C1C#N.C=C1NC(=O)N(c2cc(C)c(Oc3ccc4[nH]cc(C(C)C)c4c3)c(C)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1C(=O)O.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1C(N)=O.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CC#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(-c5ccccc5)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(=O)OC)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(C)C)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(C)c5ccccc5)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C5CCCC5)c4c3)c(Cl)c2)N=C1C#N.

What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-ethynyl-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazin-6-yl]acetonitrile;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxylate?

The InChIKey is NWAGUFBLDMYZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2N5O2.C25H15Cl2N5O2.C25H25N5O.C24H19Cl2N5O2.C24H23N5O2.C22H17Cl2N5O2.C21H13Cl2N5O4.C19H16Cl2N6O3.C19H15Cl2N5O3.C18H16Cl2N6O4.C18H15Cl2N5O5.C17H16Cl2N6O3/c1-15(17-6-4-3-5-7-17)21-14-31-24-9-8-19(12-20(21)24)36-26-22(28)10-18(11-23(26)29)34-27(35)32-16(2)25(13-30)33-34;1-14-23(12-28)31-32(25(33)30-14)16-9-20(26)24(21(27)10-16)34-17-7-8-22-18(11-17)19(13-29-22)15-5-3-2-4-6-15;1-14(2)22-13-27-23-7-6-18(11-21(22)23)10-20-15(3)8-19(9-16(20)4)30-25(31)28-17(5)24(12-26)29-30;1-13-22(11-27)30-31(24(32)29-13)15-8-19(25)23(20(26)9-15)33-16-6-7-21-17(10-16)18(12-28-21)14-4-2-3-5-14;1-13(2)20-12-26-21-7-6-18(10-19(20)21)31-23-14(3)8-17(9-15(23)4)29-24(30)27-16(5)22(11-25)28-29;1-11(2)16-10-26-19-5-4-14(8-15(16)19)31-21-17(23)6-13(7-18(21)24)29-22(30)27-12(3)20(9-25)28-29;1-10-18(8-24)27-28(21(30)26-10)11-5-15(22)19(16(23)6-11)32-12-3-4-17-13(7-12)14(9-25-17)20(29)31-2;1-9(2)12-8-16(24-25-18(12)28)30-17-13(20)6-11(7-14(17)21)27-19(29)23-10(3)15(26-27)4-5-22;1-5-15-10(4)22-19(28)26(25-15)11-6-13(20)17(14(21)7-11)29-16-8-12(9(2)3)18(27)24-23-16;1-7(2)10-6-13(23-24-17(10)28)30-15-11(19)4-9(5-12(15)20)26-18(29)22-8(3)14(25-26)16(21)27;1-7(2)10-6-13(22-23-16(10)26)30-15-11(19)4-9(5-12(15)20)25-18(29)21-8(3)14(24-25)17(27)28;1-7(2)10-6-13(22-23-16(10)26)28-14-11(18)4-9(5-12(14)19)25-17(27)21-8(3)15(20)24-25/h3-12,14-15,31H,2H2,1H3,(H,32,35);2-11,13,29H,1H2,(H,30,33);6-9,11,13-14,27H,5,10H2,1-4H3,(H,28,31);6-10,12,14,28H,1-5H2,(H,29,32);6-10,12-13,26H,5H2,1-4H3,(H,27,30);4-8,10-11,26H,3H2,1-2H3,(H,27,30);3-7,9,25H,1H2,2H3,(H,26,30);6-9H,3-4H2,1-2H3,(H,23,29)(H,25,28);1,6-9H,4H2,2-3H3,(H,22,28)(H,24,27);4-7H,3H2,1-2H3,(H2,21,27)(H,22,29)(H,24,28);4-7H,3H2,1-2H3,(H,21,29)(H,23,26)(H,27,28);4-7H,3H2,1-2H3,(H2,20,24)(H,21,27)(H,23,26).

What are the key properties of 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-ethynyl-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazin-6-yl]acetonitrile;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxylate?

6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-ethynyl-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazin-6-yl]acetonitrile;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxylate has a molecular weight of 5440.99 g/mol, XLogP of 61.37, 52 rotatable bonds, 27 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-ethynyl-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazin-6-yl]acetonitrile;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxylate is sourced from PubChem (CID 163821753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).