6-amino-2-[3,5-dichloro-4-[[5-(1-fluorocyclopentyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;5-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one;2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)-1H-indazol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

C100H77Cl10FN30O14 — CID 159876687

About 6-amino-2-[3,5-dichloro-4-[[5-(1-fluorocyclopentyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;5-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one;2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)-1H-indazol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

6-amino-2-[3,5-dichloro-4-[[5-(1-fluorocyclopentyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;5-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one;2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)-1H-indazol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (PubChem CID 159876687) has the molecular formula C100H77Cl10FN30O14 and a molecular weight of 2296.44 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[[5-(1-fluorocyclopentyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;5-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one;2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)-1H-indazol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-2-[3,5-dichloro-4-[[5-(1-fluorocyclopentyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;5-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one;2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)-1H-indazol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• PubChem CID: 159876687
• Molecular Formula: C100H77Cl10FN30O14
• Molecular Weight: 2296.44 g/mol
• Exact Mass: 2290.31
• IUPAC Name: 6-amino-2-[3,5-dichloro-4-[[5-(1-fluorocyclopentyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;5-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one;2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)-1H-indazol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• SMILES: C=C1C=NN(c2cc(Cl)c(Oc3cc(-c4ccnc(C)c4)c(=O)[nH]n3)c(Cl)c2)C(=O)N1.C=C1C=NN(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3ccnc(C)c3)c(Cl)c2)C(=O)N1.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4(F)CCCC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]nc(NC(C)C)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4c(c3)C3(CC3)C(=O)N4)c(Cl)c2)N=C1N
• InChI: InChI=1S/C21H17Cl2N7O2.2C20H14Cl2N6O3.C20H15Cl2N5O3.C19H17Cl2FN6O3/c1-10(2)25-20-14-8-13(4-5-17(14)27-28-20)32-19-15(22)6-12(7-16(19)23)30-21(31)26-11(3)18(9-24)29-30;1-10-5-12(3-4-23-10)14-8-17(26-27-19(14)29)31-18-15(21)6-13(7-16(18)22)28-20(30)25-11(2)9-24-28;1-10-5-12(3-4-23-10)14-8-17(29)26-27-19(14)31-18-15(21)6-13(7-16(18)22)28-20(30)25-11(2)9-24-28;1-9-17(23)26-27(19(29)24-9)10-6-13(21)16(14(22)7-10)30-11-2-3-15-12(8-11)20(4-5-20)18(28)25-15;1-9-16(23)27-28(18(30)24-9)10-6-12(20)15(13(21)7-10)31-14-8-11(17(29)26-25-14)19(22)4-2-3-5-19/h4-8,10H,3H2,1-2H3,(H,26,31)(H2,25,27,28);3-9H,2H2,1H3,(H,25,30)(H,27,29);3-9H,2H2,1H3,(H,25,30)(H,26,29);2-3,6-8H,1,4-5H2,(H2,23,26)(H,24,29)(H,25,28);6-8H,1-5H2,(H2,23,27)(H,24,30)(H,26,29)
• InChIKey: NSZMJWLSQSOQDC-UHFFFAOYSA-N
• XLogP: 21.95
• TPSA: 578.32 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2296.44
LogP ≤ 5	21.95
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3,5-dichloro-4-[[5-(1-fluorocyclopentyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;5-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one;2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)-1H-indazol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The IUPAC name of 6-amino-2-[3,5-dichloro-4-[[5-(1-fluorocyclopentyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;5-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one;2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)-1H-indazol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (CID 159876687) is 6-amino-2-[3,5-dichloro-4-[[5-(1-fluorocyclopentyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;5-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one;2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)-1H-indazol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

What is the SMILES notation for 6-amino-2-[3,5-dichloro-4-[[5-(1-fluorocyclopentyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;5-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one;2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)-1H-indazol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The canonical SMILES for 6-amino-2-[3,5-dichloro-4-[[5-(1-fluorocyclopentyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;5-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one;2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)-1H-indazol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is C=C1C=NN(c2cc(Cl)c(Oc3cc(-c4ccnc(C)c4)c(=O)[nH]n3)c(Cl)c2)C(=O)N1.C=C1C=NN(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3ccnc(C)c3)c(Cl)c2)C(=O)N1.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4(F)CCCC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]nc(NC(C)C)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4c(c3)C3(CC3)C(=O)N4)c(Cl)c2)N=C1N.

What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[[5-(1-fluorocyclopentyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;5-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one;2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)-1H-indazol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The InChIKey is NSZMJWLSQSOQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N7O2.2C20H14Cl2N6O3.C20H15Cl2N5O3.C19H17Cl2FN6O3/c1-10(2)25-20-14-8-13(4-5-17(14)27-28-20)32-19-15(22)6-12(7-16(19)23)30-21(31)26-11(3)18(9-24)29-30;1-10-5-12(3-4-23-10)14-8-17(26-27-19(14)29)31-18-15(21)6-13(7-16(18)22)28-20(30)25-11(2)9-24-28;1-10-5-12(3-4-23-10)14-8-17(29)26-27-19(14)31-18-15(21)6-13(7-16(18)22)28-20(30)25-11(2)9-24-28;1-9-17(23)26-27(19(29)24-9)10-6-13(21)16(14(22)7-10)30-11-2-3-15-12(8-11)20(4-5-20)18(28)25-15;1-9-16(23)27-28(18(30)24-9)10-6-12(20)15(13(21)7-10)31-14-8-11(17(29)26-25-14)19(22)4-2-3-5-19/h4-8,10H,3H2,1-2H3,(H,26,31)(H2,25,27,28);3-9H,2H2,1H3,(H,25,30)(H,27,29);3-9H,2H2,1H3,(H,25,30)(H,26,29);2-3,6-8H,1,4-5H2,(H2,23,26)(H,24,29)(H,25,28);6-8H,1-5H2,(H2,23,27)(H,24,30)(H,26,29).

What are the key properties of 6-amino-2-[3,5-dichloro-4-[[5-(1-fluorocyclopentyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;5-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one;2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)-1H-indazol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

6-amino-2-[3,5-dichloro-4-[[5-(1-fluorocyclopentyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;5-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one;2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)-1H-indazol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 2296.44 g/mol, XLogP of 21.95, 20 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[3,5-dichloro-4-[[5-(1-fluorocyclopentyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;5-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one;2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)-1H-indazol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 159876687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).