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

C88H58Cl8N30O12 — CID 159606191

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

6-amino-2-[3,5-dichloro-4-[(4-imidazo[1,5-a]pyridin-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-imidazo[1,5-a]pyridin-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-[(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-6-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one (PubChem CID 159606191) 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-[(4-imidazo[1,5-a]pyridin-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-imidazo[1,5-a]pyridin-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-[(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-6-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-imidazo[1,5-a]pyridin-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-imidazo[1,5-a]pyridin-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-[(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-6-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one
• PubChem CID: 159606191
• Molecular Formula: C88H58Cl8N30O12
• Molecular Weight: 2011.25 g/mol
• Exact Mass: 2006.24
• IUPAC Name: 6-amino-2-[3,5-dichloro-4-[(4-imidazo[1,5-a]pyridin-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-imidazo[1,5-a]pyridin-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-[(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-6-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one
• SMILES: C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4ccc5ncccc5c4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4ccn5cncc5c4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3ccc4ncccc4c3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3ccn4cncc4c3)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)35-19-10-15(22(33)30-29-19)12-4-5-18-13(7-12)3-2-6-27-18;1-11-21(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;1-10-19(24)29-31(21(33)26-10)12-5-15(22)18(16(23)6-12)34-17-7-14(20(32)28-27-17)11-2-3-30-9-25-8-13(30)4-11;1-10-19(24)29-31(21(33)26-10)12-5-15(22)18(16(23)6-12)34-20-14(7-17(32)27-28-20)11-2-3-30-9-25-8-13(30)4-11/h2-10H,1H2,(H2,26,31)(H,28,34)(H,30,33);2-10H,1H2,(H2,26,31)(H,28,34)(H,29,33);2-9H,1H2,(H2,24,29)(H,26,33)(H,28,32);2-9H,1H2,(H2,24,29)(H,26,33)(H,27,32)
• InChIKey: MMCMDIIYODUJOE-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-[(4-imidazo[1,5-a]pyridin-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-imidazo[1,5-a]pyridin-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-[(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-6-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-imidazo[1,5-a]pyridin-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-imidazo[1,5-a]pyridin-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-[(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-6-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one (CID 159606191) is 6-amino-2-[3,5-dichloro-4-[(4-imidazo[1,5-a]pyridin-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-imidazo[1,5-a]pyridin-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-[(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-6-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-imidazo[1,5-a]pyridin-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-imidazo[1,5-a]pyridin-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-[(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-6-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-imidazo[1,5-a]pyridin-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-imidazo[1,5-a]pyridin-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-[(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-6-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one is C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4ccc5ncccc5c4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4ccn5cncc5c4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3ccc4ncccc4c3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3ccn4cncc4c3)c(Cl)c2)N=C1N.

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

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

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

6-amino-2-[3,5-dichloro-4-[(4-imidazo[1,5-a]pyridin-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-imidazo[1,5-a]pyridin-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-[(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-6-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-[(4-imidazo[1,5-a]pyridin-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-imidazo[1,5-a]pyridin-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-[(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-6-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one is sourced from PubChem (CID 159606191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).