6-amino-2-[4-[[5-[(2R)-butan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z)-3-carbamoyl-4-methylhex-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-methylhex-2-enimidate;2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

C228H227Cl19N70O33 — CID 163467149

About 6-amino-2-[4-[[5-[(2R)-butan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z)-3-carbamoyl-4-methylhex-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-methylhex-2-enimidate;2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

6-amino-2-[4-[[5-[(2R)-butan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z)-3-carbamoyl-4-methylhex-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-methylhex-2-enimidate;2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (PubChem CID 163467149) has the molecular formula C228H227Cl19N70O33 and a molecular weight of 5149.39 g/mol. Its IUPAC name is 6-amino-2-[4-[[5-[(2R)-butan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z)-3-carbamoyl-4-methylhex-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-methylhex-2-enimidate;2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-2-[4-[[5-[(2R)-butan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z)-3-carbamoyl-4-methylhex-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-methylhex-2-enimidate;2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• PubChem CID: 163467149
• Molecular Formula: C228H227Cl19N70O33
• Molecular Weight: 5149.39 g/mol
• Exact Mass: 5137.23
• IUPAC Name: 6-amino-2-[4-[[5-[(2R)-butan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z)-3-carbamoyl-4-methylhex-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-methylhex-2-enimidate;2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• SMILES: C=C1NC(=O)N(c2cc(C)c(Cc3ccc(O)c(-c4ccccc4)n3)c(C)c2)N=C1N.C=C1NC(=O)N(c2cc(C)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(C)c2)N=C1N.C=C1NC(=O)N(c2cc(C)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Cc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2C)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2C)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCCC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc([C@H](C)CC)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(C)C)c4c3)c(Cl)c2)N=C1N.[H]/N=C(\C=C(/C(N)=O)C(C)CC)Oc1c(Cl)cc(N2N=C(N)C(=C)NC2=O)cc1Cl.[H]/N=C(\C=C(/C(N)=O)[C@@H](C)CC)Oc1c(Cl)cc(N2N=C(N)C(=C)NC2=O)cc1Cl
• InChI: InChI=1S/C24H23N5O2.C21H19Cl2N5O2.C19H18Cl2N6O3.C19H16Cl2N6O3.C19H22N6O3.C18H16Cl2N6O3.2C18H18Cl2N6O3.2C18H20Cl2N6O3.C18H18Cl2N6O2.C18H19ClN6O3/c1-14-11-19(29-24(31)26-16(3)23(25)28-29)12-15(2)20(14)13-18-9-10-21(30)22(27-18)17-7-5-4-6-8-17;1-10(2)15-9-25-18-5-4-13(8-14(15)18)30-19-16(22)6-12(7-17(19)23)28-21(29)26-11(3)20(24)27-28;1-9-17(22)26-27(19(29)23-9)11-6-13(20)16(14(21)7-11)30-15-8-12(18(28)25-24-15)10-4-2-3-5-10;1-8(2)11-5-15(24-25-18(11)28)30-17-12(20)6-14(9(3)16(17)21)27-19(29)23-10(4)13(7-22)26-27;1-9(2)14-8-15(22-23-18(14)26)28-16-10(3)6-13(7-11(16)4)25-19(27)21-12(5)17(20)24-25;1-8-16(21)25-26(18(28)22-8)10-5-12(19)15(13(20)6-10)29-14-7-11(9-3-2-4-9)17(27)24-23-14;1-7(2)10-5-13(23-24-17(10)27)29-15-11(19)6-12(8(3)14(15)20)26-18(28)22-9(4)16(21)25-26;1-4-8(2)11-7-14(23-24-17(11)27)29-15-12(19)5-10(6-13(15)20)26-18(28)22-9(3)16(21)25-26;2*1-4-8(2)11(17(23)27)7-14(21)29-15-12(19)5-10(6-13(15)20)26-18(28)24-9(3)16(22)25-26;1-8(2)12-4-10(23-24-17(12)27)5-13-14(19)6-11(7-15(13)20)26-18(28)22-9(3)16(21)25-26;1-8(2)12-7-14(22-23-17(12)26)28-15-9(3)5-11(6-13(15)19)25-18(27)21-10(4)16(20)24-25/h4-12,30H,3,13H2,1-2H3,(H2,25,28)(H,26,31);4-10,25H,3H2,1-2H3,(H2,24,27)(H,26,29);6-8,10H,1-5H2,(H2,22,26)(H,23,29)(H,25,28);5-6,8H,4H2,1-3H3,(H,23,29)(H,25,28);6-9H,5H2,1-4H3,(H2,20,24)(H,21,27)(H,23,26);5-7,9H,1-4H2,(H2,21,25)(H,22,28)(H,24,27);5-7H,4H2,1-3H3,(H2,21,25)(H,22,28)(H,24,27);5-8H,3-4H2,1-2H3,(H2,21,25)(H,22,28)(H,24,27);2*5-8,21H,3-4H2,1-2H3,(H2,22,25)(H2,23,27)(H,24,28);4,6-8H,3,5H2,1-2H3,(H2,21,25)(H,22,28)(H,24,27);5-8H,4H2,1-3H3,(H2,20,24)(H,21,27)(H,23,26)/b;;;;;;;;2*11-7-,21-14+;;/t;;;;;;;2*8-;;;/m.......10.../s1
• InChIKey: BTOIDXCSMVVAOI-BTHLOYCGSA-N
• XLogP: 43.45
• TPSA: 1487.50 Ų
• H-Bond Donors: 37
• H-Bond Acceptors: 68
• Rotatable Bonds: 53
• Heavy Atoms: 350
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5149.39
LogP ≤ 5	43.45
H-Bond Donors ≤ 5	37
H-Bond Acceptors ≤ 10	68

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[4-[[5-[(2R)-butan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z)-3-carbamoyl-4-methylhex-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-methylhex-2-enimidate;2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The IUPAC name of 6-amino-2-[4-[[5-[(2R)-butan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z)-3-carbamoyl-4-methylhex-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-methylhex-2-enimidate;2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (CID 163467149) is 6-amino-2-[4-[[5-[(2R)-butan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z)-3-carbamoyl-4-methylhex-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-methylhex-2-enimidate;2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

What is the SMILES notation for 6-amino-2-[4-[[5-[(2R)-butan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z)-3-carbamoyl-4-methylhex-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-methylhex-2-enimidate;2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The canonical SMILES for 6-amino-2-[4-[[5-[(2R)-butan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z)-3-carbamoyl-4-methylhex-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-methylhex-2-enimidate;2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is C=C1NC(=O)N(c2cc(C)c(Cc3ccc(O)c(-c4ccccc4)n3)c(C)c2)N=C1N.C=C1NC(=O)N(c2cc(C)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(C)c2)N=C1N.C=C1NC(=O)N(c2cc(C)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Cc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2C)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2C)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCCC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc([C@H](C)CC)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(C)C)c4c3)c(Cl)c2)N=C1N.[H]/N=C(\C=C(/C(N)=O)C(C)CC)Oc1c(Cl)cc(N2N=C(N)C(=C)NC2=O)cc1Cl.[H]/N=C(\C=C(/C(N)=O)[C@@H](C)CC)Oc1c(Cl)cc(N2N=C(N)C(=C)NC2=O)cc1Cl.

What is the InChIKey of 6-amino-2-[4-[[5-[(2R)-butan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z)-3-carbamoyl-4-methylhex-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-methylhex-2-enimidate;2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The InChIKey is BTOIDXCSMVVAOI-BTHLOYCGSA-N. The full InChI is InChI=1S/C24H23N5O2.C21H19Cl2N5O2.C19H18Cl2N6O3.C19H16Cl2N6O3.C19H22N6O3.C18H16Cl2N6O3.2C18H18Cl2N6O3.2C18H20Cl2N6O3.C18H18Cl2N6O2.C18H19ClN6O3/c1-14-11-19(29-24(31)26-16(3)23(25)28-29)12-15(2)20(14)13-18-9-10-21(30)22(27-18)17-7-5-4-6-8-17;1-10(2)15-9-25-18-5-4-13(8-14(15)18)30-19-16(22)6-12(7-17(19)23)28-21(29)26-11(3)20(24)27-28;1-9-17(22)26-27(19(29)23-9)11-6-13(20)16(14(21)7-11)30-15-8-12(18(28)25-24-15)10-4-2-3-5-10;1-8(2)11-5-15(24-25-18(11)28)30-17-12(20)6-14(9(3)16(17)21)27-19(29)23-10(4)13(7-22)26-27;1-9(2)14-8-15(22-23-18(14)26)28-16-10(3)6-13(7-11(16)4)25-19(27)21-12(5)17(20)24-25;1-8-16(21)25-26(18(28)22-8)10-5-12(19)15(13(20)6-10)29-14-7-11(9-3-2-4-9)17(27)24-23-14;1-7(2)10-5-13(23-24-17(10)27)29-15-11(19)6-12(8(3)14(15)20)26-18(28)22-9(4)16(21)25-26;1-4-8(2)11-7-14(23-24-17(11)27)29-15-12(19)5-10(6-13(15)20)26-18(28)22-9(3)16(21)25-26;2*1-4-8(2)11(17(23)27)7-14(21)29-15-12(19)5-10(6-13(15)20)26-18(28)24-9(3)16(22)25-26;1-8(2)12-4-10(23-24-17(12)27)5-13-14(19)6-11(7-15(13)20)26-18(28)22-9(3)16(21)25-26;1-8(2)12-7-14(22-23-17(12)26)28-15-9(3)5-11(6-13(15)19)25-18(27)21-10(4)16(20)24-25/h4-12,30H,3,13H2,1-2H3,(H2,25,28)(H,26,31);4-10,25H,3H2,1-2H3,(H2,24,27)(H,26,29);6-8,10H,1-5H2,(H2,22,26)(H,23,29)(H,25,28);5-6,8H,4H2,1-3H3,(H,23,29)(H,25,28);6-9H,5H2,1-4H3,(H2,20,24)(H,21,27)(H,23,26);5-7,9H,1-4H2,(H2,21,25)(H,22,28)(H,24,27);5-7H,4H2,1-3H3,(H2,21,25)(H,22,28)(H,24,27);5-8H,3-4H2,1-2H3,(H2,21,25)(H,22,28)(H,24,27);2*5-8,21H,3-4H2,1-2H3,(H2,22,25)(H2,23,27)(H,24,28);4,6-8H,3,5H2,1-2H3,(H2,21,25)(H,22,28)(H,24,27);5-8H,4H2,1-3H3,(H2,20,24)(H,21,27)(H,23,26)/b;;;;;;;;2*11-7-,21-14+;;/t;;;;;;;2*8-;;;/m.......10.../s1.

What are the key properties of 6-amino-2-[4-[[5-[(2R)-butan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z)-3-carbamoyl-4-methylhex-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-methylhex-2-enimidate;2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

6-amino-2-[4-[[5-[(2R)-butan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z)-3-carbamoyl-4-methylhex-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-methylhex-2-enimidate;2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 5149.39 g/mol, XLogP of 43.45, 53 rotatable bonds, 37 hydrogen bond donors, and 68 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[4-[[5-[(2R)-butan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z)-3-carbamoyl-4-methylhex-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-methylhex-2-enimidate;2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 163467149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).