6-amino-2-[3,5-dichloro-4-[(4-isoquinolin-3-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-4-pyrazolo[1,5-a]pyridin-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-pyrazolo[1,5-a]pyridin-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-4-quinolin-3-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-quinolin-3-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one

C111H73Cl10N37O15 — CID 158893719

About 6-amino-2-[3,5-dichloro-4-[(4-isoquinolin-3-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-4-pyrazolo[1,5-a]pyridin-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-pyrazolo[1,5-a]pyridin-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-4-quinolin-3-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-quinolin-3-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one

6-amino-2-[3,5-dichloro-4-[(4-isoquinolin-3-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-4-pyrazolo[1,5-a]pyridin-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-pyrazolo[1,5-a]pyridin-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-4-quinolin-3-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-quinolin-3-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one (PubChem CID 158893719) has the molecular formula C111H73Cl10N37O15 and a molecular weight of 2519.58 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[(4-isoquinolin-3-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-4-pyrazolo[1,5-a]pyridin-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-pyrazolo[1,5-a]pyridin-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-4-quinolin-3-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-quinolin-3-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one.

Molecular Properties

• Compound Name: 6-amino-2-[3,5-dichloro-4-[(4-isoquinolin-3-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-4-pyrazolo[1,5-a]pyridin-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-pyrazolo[1,5-a]pyridin-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-4-quinolin-3-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-quinolin-3-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one
• PubChem CID: 158893719
• Molecular Formula: C111H73Cl10N37O15
• Molecular Weight: 2519.58 g/mol
• Exact Mass: 2513.30
• IUPAC Name: 6-amino-2-[3,5-dichloro-4-[(4-isoquinolin-3-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-4-pyrazolo[1,5-a]pyridin-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-pyrazolo[1,5-a]pyridin-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-4-quinolin-3-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-quinolin-3-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one
• SMILES: C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4cc5ccccn5n4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4cnc5ccccc5c4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3cc4ccccc4cn3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3cc4ccccn4n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3cnc4ccccc4c3)c(Cl)c2)N=C1N
• InChI: InChI=1S/3C23H15Cl2N7O3.2C21H14Cl2N8O3/c1-11-21(26)31-32(23(34)28-11)14-7-16(24)20(17(25)8-14)35-19-9-15(22(33)30-29-19)13-6-12-4-2-3-5-18(12)27-10-13;1-11-21(26)31-32(23(34)28-11)14-7-16(24)20(17(25)8-14)35-22-15(9-19(33)29-30-22)13-6-12-4-2-3-5-18(12)27-10-13;1-11-21(26)31-32(23(34)28-11)14-7-16(24)20(17(25)8-14)35-22-15(9-19(33)29-30-22)18-6-12-4-2-3-5-13(12)10-27-18;1-10-19(24)29-31(21(33)25-10)12-6-14(22)18(15(23)7-12)34-17-9-13(20(32)27-26-17)16-8-11-4-2-3-5-30(11)28-16;1-10-19(24)29-31(21(33)25-10)12-6-14(22)18(15(23)7-12)34-20-13(9-17(32)26-27-20)16-8-11-4-2-3-5-30(11)28-16/h2-10H,1H2,(H2,26,31)(H,28,34)(H,30,33);2*2-10H,1H2,(H2,26,31)(H,28,34)(H,29,33);2-9H,1H2,(H2,24,29)(H,25,33)(H,27,32);2-9H,1H2,(H2,24,29)(H,25,33)(H,26,32)
• InChIKey: JEOJLCGUVDYBHC-UHFFFAOYSA-N
• XLogP: 20.20
• TPSA: 701.77 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2519.58
LogP ≤ 5	20.20
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3,5-dichloro-4-[(4-isoquinolin-3-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-4-pyrazolo[1,5-a]pyridin-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-pyrazolo[1,5-a]pyridin-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-4-quinolin-3-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-quinolin-3-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one?

The IUPAC name of 6-amino-2-[3,5-dichloro-4-[(4-isoquinolin-3-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-4-pyrazolo[1,5-a]pyridin-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-pyrazolo[1,5-a]pyridin-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-4-quinolin-3-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-quinolin-3-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one (CID 158893719) is 6-amino-2-[3,5-dichloro-4-[(4-isoquinolin-3-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-4-pyrazolo[1,5-a]pyridin-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-pyrazolo[1,5-a]pyridin-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-4-quinolin-3-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-quinolin-3-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one.

What is the SMILES notation for 6-amino-2-[3,5-dichloro-4-[(4-isoquinolin-3-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-4-pyrazolo[1,5-a]pyridin-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-pyrazolo[1,5-a]pyridin-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-4-quinolin-3-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-quinolin-3-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one?

The canonical SMILES for 6-amino-2-[3,5-dichloro-4-[(4-isoquinolin-3-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-4-pyrazolo[1,5-a]pyridin-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-pyrazolo[1,5-a]pyridin-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-4-quinolin-3-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-quinolin-3-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one is C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4cc5ccccn5n4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4cnc5ccccc5c4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3cc4ccccc4cn3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3cc4ccccn4n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3cnc4ccccc4c3)c(Cl)c2)N=C1N.

What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[(4-isoquinolin-3-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-4-pyrazolo[1,5-a]pyridin-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-pyrazolo[1,5-a]pyridin-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-4-quinolin-3-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-quinolin-3-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one?

The InChIKey is JEOJLCGUVDYBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H15Cl2N7O3.2C21H14Cl2N8O3/c1-11-21(26)31-32(23(34)28-11)14-7-16(24)20(17(25)8-14)35-19-9-15(22(33)30-29-19)13-6-12-4-2-3-5-18(12)27-10-13;1-11-21(26)31-32(23(34)28-11)14-7-16(24)20(17(25)8-14)35-22-15(9-19(33)29-30-22)13-6-12-4-2-3-5-18(12)27-10-13;1-11-21(26)31-32(23(34)28-11)14-7-16(24)20(17(25)8-14)35-22-15(9-19(33)29-30-22)18-6-12-4-2-3-5-13(12)10-27-18;1-10-19(24)29-31(21(33)25-10)12-6-14(22)18(15(23)7-12)34-17-9-13(20(32)27-26-17)16-8-11-4-2-3-5-30(11)28-16;1-10-19(24)29-31(21(33)25-10)12-6-14(22)18(15(23)7-12)34-20-13(9-17(32)26-27-20)16-8-11-4-2-3-5-30(11)28-16/h2-10H,1H2,(H2,26,31)(H,28,34)(H,30,33);2*2-10H,1H2,(H2,26,31)(H,28,34)(H,29,33);2-9H,1H2,(H2,24,29)(H,25,33)(H,27,32);2-9H,1H2,(H2,24,29)(H,25,33)(H,26,32).

What are the key properties of 6-amino-2-[3,5-dichloro-4-[(4-isoquinolin-3-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-4-pyrazolo[1,5-a]pyridin-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-pyrazolo[1,5-a]pyridin-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-4-quinolin-3-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-quinolin-3-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one?

6-amino-2-[3,5-dichloro-4-[(4-isoquinolin-3-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-4-pyrazolo[1,5-a]pyridin-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-pyrazolo[1,5-a]pyridin-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-4-quinolin-3-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-quinolin-3-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one has a molecular weight of 2519.58 g/mol, XLogP of 20.20, 20 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[3,5-dichloro-4-[(4-isoquinolin-3-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-4-pyrazolo[1,5-a]pyridin-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-pyrazolo[1,5-a]pyridin-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-4-quinolin-3-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-quinolin-3-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one is sourced from PubChem (CID 158893719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).