6-(aminomethyl)-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;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-(difluoromethyl)-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-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]-6-(hydroxymethyl)-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]-6-(methoxymethyl)-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]-6-(methylaminomethyl)-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-6-(methylsulfanylmethyl)-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-6-(methylsulfonylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(pyrrol-1-ylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

C221H219Cl18F2N61O34S2 — CID 163459131

About 6-(aminomethyl)-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;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-(difluoromethyl)-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-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]-6-(hydroxymethyl)-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]-6-(methoxymethyl)-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]-6-(methylaminomethyl)-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-6-(methylsulfanylmethyl)-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-6-(methylsulfonylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(pyrrol-1-ylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

6-(aminomethyl)-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;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-(difluoromethyl)-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-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]-6-(hydroxymethyl)-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]-6-(methoxymethyl)-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]-6-(methylaminomethyl)-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-6-(methylsulfanylmethyl)-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-6-(methylsulfonylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(pyrrol-1-ylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (PubChem CID 163459131) has the molecular formula C221H219Cl18F2N61O34S2 and a molecular weight of 5013.86 g/mol. Its IUPAC name is 6-(aminomethyl)-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;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-(difluoromethyl)-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-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]-6-(hydroxymethyl)-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]-6-(methoxymethyl)-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]-6-(methylaminomethyl)-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-6-(methylsulfanylmethyl)-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-6-(methylsulfonylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(pyrrol-1-ylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

Molecular Properties

• Compound Name: 6-(aminomethyl)-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;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-(difluoromethyl)-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-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]-6-(hydroxymethyl)-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]-6-(methoxymethyl)-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]-6-(methylaminomethyl)-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-6-(methylsulfanylmethyl)-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-6-(methylsulfonylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(pyrrol-1-ylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• PubChem CID: 163459131
• Molecular Formula: C221H219Cl18F2N61O34S2
• Molecular Weight: 5013.86 g/mol
• Exact Mass: 5002.11
• IUPAC Name: 6-(aminomethyl)-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;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-(difluoromethyl)-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-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]-6-(hydroxymethyl)-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]-6-(methoxymethyl)-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]-6-(methylaminomethyl)-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-6-(methylsulfanylmethyl)-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-6-(methylsulfonylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(pyrrol-1-ylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• SMILES: C=C1NC(=O)C(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)=NN1C(F)F.C=C1NC(=O)N(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4n3)c(C)c2)N=C1C#N.C=C1NC(=O)N(c2cc(C)c(Cc3ccc4n[nH]c(CCCCC)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=C1CN.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CN(C)C.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CNC.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CO.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1COC.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CS(C)(=O)=O.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CSC.CC(C)c1cc(Oc2c(Cl)cc(-n3nc(Cn4cccc4)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O
• InChI: InChI=1S/C26H28N6O.C24H24N6O.C21H18Cl2N6O4.C20H22Cl2N6O3.C19H20Cl2N6O3.C19H19Cl2N5O5S.C19H19Cl2N5O4.C19H19Cl2N5O3S.C18H15Cl2F2N5O3.C18H18Cl2N6O3.C18H17Cl2N5O4/c1-5-6-7-8-23-22-14-19(9-10-24(22)30-29-23)13-21-16(2)11-20(12-17(21)3)32-26(33)28-18(4)25(15-27)31-32;1-13(2)20-12-26-21-7-6-17(28-23(20)21)10-19-14(3)8-18(9-15(19)4)30-24(31)27-16(5)22(11-25)29-30;1-11(2)13-9-17(25-26-19(13)30)33-18-14(22)7-12(8-15(18)23)29-21(32)24-20(31)16(27-29)10-28-5-3-4-6-28;1-10(2)13-8-17(24-25-19(13)29)31-18-14(21)6-12(7-15(18)22)28-20(30)23-11(3)16(26-28)9-27(4)5;1-9(2)12-7-16(24-25-18(12)28)30-17-13(20)5-11(6-14(17)21)27-19(29)23-10(3)15(26-27)8-22-4;1-9(2)12-7-16(23-24-18(12)27)31-17-13(20)5-11(6-14(17)21)26-19(28)22-10(3)15(25-26)8-32(4,29)30;1-9(2)12-7-16(23-24-18(12)27)30-17-13(20)5-11(6-14(17)21)26-19(28)22-10(3)15(25-26)8-29-4;1-9(2)12-7-16(23-24-18(12)27)29-17-13(20)5-11(6-14(17)21)26-19(28)22-10(3)15(25-26)8-30-4;1-7(2)10-6-13(24-25-16(10)28)30-15-11(19)4-9(5-12(15)20)14-17(29)23-8(3)27(26-14)18(21)22;1-8(2)11-6-15(23-24-17(11)27)29-16-12(19)4-10(5-13(16)20)26-18(28)22-9(3)14(7-21)25-26;1-8(2)11-6-15(22-23-17(11)27)29-16-12(19)4-10(5-13(16)20)25-18(28)21-9(3)14(7-26)24-25/h9-12,14H,4-8,13H2,1-3H3,(H,28,33)(H,29,30);6-9,12-13,26H,5,10H2,1-4H3,(H,27,31);3-9,11H,10H2,1-2H3,(H,26,30)(H,24,31,32);6-8,10H,3,9H2,1-2,4-5H3,(H,23,30)(H,25,29);5-7,9,22H,3,8H2,1-2,4H3,(H,23,29)(H,25,28);5-7,9H,3,8H2,1-2,4H3,(H,22,28)(H,24,27);2*5-7,9H,3,8H2,1-2,4H3,(H,22,28)(H,24,27);4-7,18H,3H2,1-2H3,(H,23,29)(H,25,28);4-6,8H,3,7,21H2,1-2H3,(H,22,28)(H,24,27);4-6,8,26H,3,7H2,1-2H3,(H,21,28)(H,23,27)
• InChIKey: BNBLBHTVPCWDAC-UHFFFAOYSA-N
• XLogP: 43.67
• TPSA: 1224.33 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 65
• Rotatable Bonds: 62
• Heavy Atoms: 338
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5013.86
LogP ≤ 5	43.67
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	65

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-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;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-(difluoromethyl)-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-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]-6-(hydroxymethyl)-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]-6-(methoxymethyl)-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]-6-(methylaminomethyl)-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-6-(methylsulfanylmethyl)-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-6-(methylsulfonylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(pyrrol-1-ylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The IUPAC name of 6-(aminomethyl)-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;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-(difluoromethyl)-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-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]-6-(hydroxymethyl)-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]-6-(methoxymethyl)-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]-6-(methylaminomethyl)-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-6-(methylsulfanylmethyl)-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-6-(methylsulfonylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(pyrrol-1-ylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (CID 163459131) is 6-(aminomethyl)-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;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-(difluoromethyl)-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-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]-6-(hydroxymethyl)-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]-6-(methoxymethyl)-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]-6-(methylaminomethyl)-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-6-(methylsulfanylmethyl)-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-6-(methylsulfonylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(pyrrol-1-ylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

What is the SMILES notation for 6-(aminomethyl)-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;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-(difluoromethyl)-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-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]-6-(hydroxymethyl)-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]-6-(methoxymethyl)-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]-6-(methylaminomethyl)-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-6-(methylsulfanylmethyl)-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-6-(methylsulfonylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(pyrrol-1-ylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The canonical SMILES for 6-(aminomethyl)-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;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-(difluoromethyl)-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-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]-6-(hydroxymethyl)-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]-6-(methoxymethyl)-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]-6-(methylaminomethyl)-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-6-(methylsulfanylmethyl)-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-6-(methylsulfonylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(pyrrol-1-ylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is C=C1NC(=O)C(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)=NN1C(F)F.C=C1NC(=O)N(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4n3)c(C)c2)N=C1C#N.C=C1NC(=O)N(c2cc(C)c(Cc3ccc4n[nH]c(CCCCC)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=C1CN.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CN(C)C.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CNC.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CO.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1COC.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CS(C)(=O)=O.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CSC.CC(C)c1cc(Oc2c(Cl)cc(-n3nc(Cn4cccc4)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O.

What is the InChIKey of 6-(aminomethyl)-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;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-(difluoromethyl)-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-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]-6-(hydroxymethyl)-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]-6-(methoxymethyl)-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]-6-(methylaminomethyl)-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-6-(methylsulfanylmethyl)-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-6-(methylsulfonylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(pyrrol-1-ylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The InChIKey is BNBLBHTVPCWDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O.C24H24N6O.C21H18Cl2N6O4.C20H22Cl2N6O3.C19H20Cl2N6O3.C19H19Cl2N5O5S.C19H19Cl2N5O4.C19H19Cl2N5O3S.C18H15Cl2F2N5O3.C18H18Cl2N6O3.C18H17Cl2N5O4/c1-5-6-7-8-23-22-14-19(9-10-24(22)30-29-23)13-21-16(2)11-20(12-17(21)3)32-26(33)28-18(4)25(15-27)31-32;1-13(2)20-12-26-21-7-6-17(28-23(20)21)10-19-14(3)8-18(9-15(19)4)30-24(31)27-16(5)22(11-25)29-30;1-11(2)13-9-17(25-26-19(13)30)33-18-14(22)7-12(8-15(18)23)29-21(32)24-20(31)16(27-29)10-28-5-3-4-6-28;1-10(2)13-8-17(24-25-19(13)29)31-18-14(21)6-12(7-15(18)22)28-20(30)23-11(3)16(26-28)9-27(4)5;1-9(2)12-7-16(24-25-18(12)28)30-17-13(20)5-11(6-14(17)21)27-19(29)23-10(3)15(26-27)8-22-4;1-9(2)12-7-16(23-24-18(12)27)31-17-13(20)5-11(6-14(17)21)26-19(28)22-10(3)15(25-26)8-32(4,29)30;1-9(2)12-7-16(23-24-18(12)27)30-17-13(20)5-11(6-14(17)21)26-19(28)22-10(3)15(25-26)8-29-4;1-9(2)12-7-16(23-24-18(12)27)29-17-13(20)5-11(6-14(17)21)26-19(28)22-10(3)15(25-26)8-30-4;1-7(2)10-6-13(24-25-16(10)28)30-15-11(19)4-9(5-12(15)20)14-17(29)23-8(3)27(26-14)18(21)22;1-8(2)11-6-15(23-24-17(11)27)29-16-12(19)4-10(5-13(16)20)26-18(28)22-9(3)14(7-21)25-26;1-8(2)11-6-15(22-23-17(11)27)29-16-12(19)4-10(5-13(16)20)25-18(28)21-9(3)14(7-26)24-25/h9-12,14H,4-8,13H2,1-3H3,(H,28,33)(H,29,30);6-9,12-13,26H,5,10H2,1-4H3,(H,27,31);3-9,11H,10H2,1-2H3,(H,26,30)(H,24,31,32);6-8,10H,3,9H2,1-2,4-5H3,(H,23,30)(H,25,29);5-7,9,22H,3,8H2,1-2,4H3,(H,23,29)(H,25,28);5-7,9H,3,8H2,1-2,4H3,(H,22,28)(H,24,27);2*5-7,9H,3,8H2,1-2,4H3,(H,22,28)(H,24,27);4-7,18H,3H2,1-2H3,(H,23,29)(H,25,28);4-6,8H,3,7,21H2,1-2H3,(H,22,28)(H,24,27);4-6,8,26H,3,7H2,1-2H3,(H,21,28)(H,23,27).

What are the key properties of 6-(aminomethyl)-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;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-(difluoromethyl)-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-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]-6-(hydroxymethyl)-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]-6-(methoxymethyl)-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]-6-(methylaminomethyl)-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-6-(methylsulfanylmethyl)-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-6-(methylsulfonylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(pyrrol-1-ylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

6-(aminomethyl)-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;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-(difluoromethyl)-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-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]-6-(hydroxymethyl)-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]-6-(methoxymethyl)-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]-6-(methylaminomethyl)-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-6-(methylsulfanylmethyl)-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-6-(methylsulfonylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(pyrrol-1-ylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 5013.86 g/mol, XLogP of 43.67, 62 rotatable bonds, 25 hydrogen bond donors, and 65 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(aminomethyl)-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;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-(difluoromethyl)-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-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]-6-(hydroxymethyl)-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]-6-(methoxymethyl)-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]-6-(methylaminomethyl)-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-6-(methylsulfanylmethyl)-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-6-(methylsulfonylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(pyrrol-1-ylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 163459131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).