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-6-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

C88H58Cl8N30O12 — CID 158063262

About 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-6-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-[(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-6-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 158063262) has the molecular formula C88H58Cl8N30O12 and a molecular weight of 2011.25 g/mol. Its IUPAC name is 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-6-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-[(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-6-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: 158063262
• Molecular Formula: C88H58Cl8N30O12
• Molecular Weight: 2011.25 g/mol
• Exact Mass: 2006.24
• IUPAC Name: 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-6-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-c3cc4ccccn4n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3ccc4ncccc4c3)c(Cl)c2)N=C1N
• InChI: InChI=1S/2C23H15Cl2N7O3.2C21H14Cl2N8O3/c1-11-21(26)31-32(23(34)28-11)14-8-16(24)20(17(25)9-14)35-22-15(10-19(33)29-30-22)12-4-5-18-13(7-12)3-2-6-27-18;1-11-21(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;1-10-19(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,29,33);2-10H,1H2,(H2,26,31)(H,28,34)(H,30,33);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: FKXJUQLILFZJFI-UHFFFAOYSA-N
• XLogP: 15.80
• TPSA: 563.18 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 16
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2011.25
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 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-6-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-[(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-6-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 158063262) is 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-6-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-[(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-6-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-[(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-6-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-c3cc4ccccn4n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3ccc4ncccc4c3)c(Cl)c2)N=C1N.

What is the InChIKey of 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-6-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 FKXJUQLILFZJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H15Cl2N7O3.2C21H14Cl2N8O3/c1-11-21(26)31-32(23(34)28-11)14-8-16(24)20(17(25)9-14)35-22-15(10-19(33)29-30-22)12-4-5-18-13(7-12)3-2-6-27-18;1-11-21(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;1-10-19(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,29,33);2-10H,1H2,(H2,26,31)(H,28,34)(H,30,33);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-[(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-6-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-[(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-6-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 2011.25 g/mol, XLogP of 15.80, 16 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 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-6-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 158063262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).