6-amino-2-[3,5-dichloro-4-[(4-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one

C88H56Cl8N32O12 — CID 158275696

About 6-amino-2-[3,5-dichloro-4-[(4-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one

6-amino-2-[3,5-dichloro-4-[(4-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one (PubChem CID 158275696) has the molecular formula C88H56Cl8N32O12 and a molecular weight of 2037.25 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[(4-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-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-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one
• PubChem CID: 158275696
• Molecular Formula: C88H56Cl8N32O12
• Molecular Weight: 2037.25 g/mol
• Exact Mass: 2032.23
• IUPAC Name: 6-amino-2-[3,5-dichloro-4-[(4-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one
• SMILES: C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4ccc5ccnnc5c4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4ccc5nnccc5c4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3ccc4ccnnc4c3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3ccc4nnccc4c3)c(Cl)c2)N=C1N
• InChI: InChI=1S/4C22H14Cl2N8O3/c1-10-20(25)31-32(22(34)27-10)13-7-15(23)19(16(24)8-13)35-18-9-14(21(33)30-29-18)11-2-3-17-12(6-11)4-5-26-28-17;1-10-20(25)31-32(22(34)27-10)13-7-15(23)19(16(24)8-13)35-21-14(9-18(33)29-30-21)11-2-3-17-12(6-11)4-5-26-28-17;1-10-20(25)31-32(22(34)27-10)13-7-15(23)19(16(24)8-13)35-18-9-14(21(33)30-29-18)12-3-2-11-4-5-26-28-17(11)6-12;1-10-20(25)31-32(22(34)27-10)13-7-15(23)19(16(24)8-13)35-21-14(9-18(33)29-30-21)12-3-2-11-4-5-26-28-17(11)6-12/h2-9H,1H2,(H2,25,31)(H,27,34)(H,30,33);2-9H,1H2,(H2,25,31)(H,27,34)(H,29,33);2-9H,1H2,(H2,25,31)(H,27,34)(H,30,33);2-9H,1H2,(H2,25,31)(H,27,34)(H,29,33)
• InChIKey: GJOQTZSRDRQOAR-UHFFFAOYSA-N
• XLogP: 15.18
• TPSA: 605.92 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2037.25
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3,5-dichloro-4-[(4-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-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-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one (CID 158275696) is 6-amino-2-[3,5-dichloro-4-[(4-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-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-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-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-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one is C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4ccc5ccnnc5c4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4ccc5nnccc5c4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3ccc4ccnnc4c3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3ccc4nnccc4c3)c(Cl)c2)N=C1N.

What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[(4-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one?

The InChIKey is GJOQTZSRDRQOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C22H14Cl2N8O3/c1-10-20(25)31-32(22(34)27-10)13-7-15(23)19(16(24)8-13)35-18-9-14(21(33)30-29-18)11-2-3-17-12(6-11)4-5-26-28-17;1-10-20(25)31-32(22(34)27-10)13-7-15(23)19(16(24)8-13)35-21-14(9-18(33)29-30-21)11-2-3-17-12(6-11)4-5-26-28-17;1-10-20(25)31-32(22(34)27-10)13-7-15(23)19(16(24)8-13)35-18-9-14(21(33)30-29-18)12-3-2-11-4-5-26-28-17(11)6-12;1-10-20(25)31-32(22(34)27-10)13-7-15(23)19(16(24)8-13)35-21-14(9-18(33)29-30-21)12-3-2-11-4-5-26-28-17(11)6-12/h2-9H,1H2,(H2,25,31)(H,27,34)(H,30,33);2-9H,1H2,(H2,25,31)(H,27,34)(H,29,33);2-9H,1H2,(H2,25,31)(H,27,34)(H,30,33);2-9H,1H2,(H2,25,31)(H,27,34)(H,29,33).

What are the key properties of 6-amino-2-[3,5-dichloro-4-[(4-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one?

6-amino-2-[3,5-dichloro-4-[(4-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one has a molecular weight of 2037.25 g/mol, XLogP of 15.18, 16 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[3,5-dichloro-4-[(4-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(4-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one is sourced from PubChem (CID 158275696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).