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-[(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;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

C102H81Cl10FN28O15 — CID 158382053

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-[(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;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-[(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;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 158382053) has the molecular formula C102H81Cl10FN28O15 and a molecular weight of 2312.48 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-[(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;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-[(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;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: 158382053
• Molecular Formula: C102H81Cl10FN28O15
• Molecular Weight: 2312.48 g/mol
• Exact Mass: 2306.33
• 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-[(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;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(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.Cc1nn(-c2cc(Cl)c(Oc3ccc4[nH]c(=O)cc(C(C)C)c4c3)c(Cl)c2)c(=O)[nH]c1=O
• InChI: InChI=1S/C22H18Cl2N4O4.C21H17Cl2N7O2.C20H14Cl2N6O3.C20H15Cl2N5O3.C19H17Cl2FN6O3/c1-10(2)14-9-19(29)25-18-5-4-13(8-15(14)18)32-20-16(23)6-12(7-17(20)24)28-22(31)26-21(30)11(3)27-28;1-10(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(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/h4-10H,1-3H3,(H,25,29)(H,26,30,31);4-8,10H,3H2,1-2H3,(H,26,31)(H2,25,27,28);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: GVXLOBYPYRNLSI-UHFFFAOYSA-N
• XLogP: 21.98
• TPSA: 575.59 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2312.48
LogP ≤ 5	21.98
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-[(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;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-[(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;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 158382053) 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-[(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;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-[(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;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-[(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;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(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.Cc1nn(-c2cc(Cl)c(Oc3ccc4[nH]c(=O)cc(C(C)C)c4c3)c(Cl)c2)c(=O)[nH]c1=O.

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-[(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;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 GVXLOBYPYRNLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O4.C21H17Cl2N7O2.C20H14Cl2N6O3.C20H15Cl2N5O3.C19H17Cl2FN6O3/c1-10(2)14-9-19(29)25-18-5-4-13(8-15(14)18)32-20-16(23)6-12(7-17(20)24)28-22(31)26-21(30)11(3)27-28;1-10(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(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/h4-10H,1-3H3,(H,25,29)(H,26,30,31);4-8,10H,3H2,1-2H3,(H,26,31)(H2,25,27,28);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-[(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;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-[(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;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 2312.48 g/mol, XLogP of 21.98, 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-[(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;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 158382053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).