6-amino-2-[4-[(5-benzyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3-chlorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-naphthalen-2-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

C112H88Cl9N31O13 — CID 158328142

About 6-amino-2-[4-[(5-benzyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3-chlorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-naphthalen-2-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

6-amino-2-[4-[(5-benzyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3-chlorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-naphthalen-2-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (PubChem CID 158328142) has the molecular formula C112H88Cl9N31O13 and a molecular weight of 2395.22 g/mol. Its IUPAC name is 6-amino-2-[4-[(5-benzyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3-chlorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-naphthalen-2-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-2-[4-[(5-benzyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3-chlorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-naphthalen-2-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• PubChem CID: 158328142
• Molecular Formula: C112H88Cl9N31O13
• Molecular Weight: 2395.22 g/mol
• Exact Mass: 2389.44
• IUPAC Name: 6-amino-2-[4-[(5-benzyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3-chlorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-naphthalen-2-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• SMILES: C=C1NC(=O)N(c2cc(C)c(Cc3cnc4[nH]cc(C(C)C)c4n3)c(C)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4cccc(Cl)c4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCc5ccccc5C4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(Cc4ccccc4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3ccc4ccccc4c3)c(Cl)c2)N=C1N
• InChI: InChI=1S/C24H20Cl2N6O3.C24H16Cl2N6O3.C23H23N7O.C21H16Cl2N6O3.C20H13Cl3N6O3/c1-12-22(27)31-32(24(34)28-12)16-9-18(25)21(19(26)10-16)35-20-11-17(23(33)30-29-20)15-7-6-13-4-2-3-5-14(13)8-15;1-12-22(27)31-32(24(34)28-12)16-9-18(25)21(19(26)10-16)35-23-17(11-20(33)29-30-23)15-7-6-13-4-2-3-5-14(13)8-15;1-12(2)19-11-26-22-21(19)28-16(10-25-22)8-18-13(3)6-17(7-14(18)4)30-23(31)27-15(5)20(9-24)29-30;1-11-19(24)28-29(21(31)25-11)14-9-15(22)18(16(23)10-14)32-17-8-13(20(30)27-26-17)7-12-5-3-2-4-6-12;1-9-18(24)28-29(20(31)25-9)12-6-14(22)17(15(23)7-12)32-16-8-13(19(30)27-26-16)10-3-2-4-11(21)5-10/h2-5,9-11,15H,1,6-8H2,(H2,27,31)(H,28,34)(H,30,33);2-11H,1H2,(H2,27,31)(H,28,34)(H,29,33);6-7,10-12H,5,8H2,1-4H3,(H,25,26)(H,27,31);2-6,8-10H,1,7H2,(H2,24,28)(H,25,31)(H,27,30);2-8H,1H2,(H2,24,28)(H,25,31)(H,27,30)
• InChIKey: GPQYKPGKLUUJHH-UHFFFAOYSA-N
• XLogP: 21.95
• TPSA: 612.86 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2395.22
LogP ≤ 5	21.95
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[4-[(5-benzyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3-chlorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-naphthalen-2-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The IUPAC name of 6-amino-2-[4-[(5-benzyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3-chlorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-naphthalen-2-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (CID 158328142) is 6-amino-2-[4-[(5-benzyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3-chlorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-naphthalen-2-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

What is the SMILES notation for 6-amino-2-[4-[(5-benzyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3-chlorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-naphthalen-2-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The canonical SMILES for 6-amino-2-[4-[(5-benzyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3-chlorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-naphthalen-2-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is C=C1NC(=O)N(c2cc(C)c(Cc3cnc4[nH]cc(C(C)C)c4n3)c(C)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4cccc(Cl)c4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCc5ccccc5C4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(Cc4ccccc4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3ccc4ccccc4c3)c(Cl)c2)N=C1N.

What is the InChIKey of 6-amino-2-[4-[(5-benzyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3-chlorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-naphthalen-2-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The InChIKey is GPQYKPGKLUUJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N6O3.C24H16Cl2N6O3.C23H23N7O.C21H16Cl2N6O3.C20H13Cl3N6O3/c1-12-22(27)31-32(24(34)28-12)16-9-18(25)21(19(26)10-16)35-20-11-17(23(33)30-29-20)15-7-6-13-4-2-3-5-14(13)8-15;1-12-22(27)31-32(24(34)28-12)16-9-18(25)21(19(26)10-16)35-23-17(11-20(33)29-30-23)15-7-6-13-4-2-3-5-14(13)8-15;1-12(2)19-11-26-22-21(19)28-16(10-25-22)8-18-13(3)6-17(7-14(18)4)30-23(31)27-15(5)20(9-24)29-30;1-11-19(24)28-29(21(31)25-11)14-9-15(22)18(16(23)10-14)32-17-8-13(20(30)27-26-17)7-12-5-3-2-4-6-12;1-9-18(24)28-29(20(31)25-9)12-6-14(22)17(15(23)7-12)32-16-8-13(19(30)27-26-16)10-3-2-4-11(21)5-10/h2-5,9-11,15H,1,6-8H2,(H2,27,31)(H,28,34)(H,30,33);2-11H,1H2,(H2,27,31)(H,28,34)(H,29,33);6-7,10-12H,5,8H2,1-4H3,(H,25,26)(H,27,31);2-6,8-10H,1,7H2,(H2,24,28)(H,25,31)(H,27,30);2-8H,1H2,(H2,24,28)(H,25,31)(H,27,30).

What are the key properties of 6-amino-2-[4-[(5-benzyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3-chlorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-naphthalen-2-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

6-amino-2-[4-[(5-benzyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3-chlorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-naphthalen-2-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 2395.22 g/mol, XLogP of 21.95, 21 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[4-[(5-benzyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3-chlorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-naphthalen-2-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 158328142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).