6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

C105H81Cl10N27O16 — CID 159131504

About 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (PubChem CID 159131504) has the molecular formula C105H81Cl10N27O16 and a molecular weight of 2331.51 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-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-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• PubChem CID: 159131504
• Molecular Formula: C105H81Cl10N27O16
• Molecular Weight: 2331.51 g/mol
• Exact Mass: 2325.32
• IUPAC Name: 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• SMILES: C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1C(=O)O.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1C(N)=O.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(-c5ccccc5)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(C)c5ccccc5)c4c3)c(Cl)c2)N=C1C#N
• InChI: InChI=1S/C27H19Cl2N5O2.C25H15Cl2N5O2.C18H16Cl2N6O4.C18H15Cl2N5O5.C17H16Cl2N6O3/c1-15(17-6-4-3-5-7-17)21-14-31-24-9-8-19(12-20(21)24)36-26-22(28)10-18(11-23(26)29)34-27(35)32-16(2)25(13-30)33-34;1-14-23(12-28)31-32(25(33)30-14)16-9-20(26)24(21(27)10-16)34-17-7-8-22-18(11-17)19(13-29-22)15-5-3-2-4-6-15;1-7(2)10-6-13(23-24-17(10)28)30-15-11(19)4-9(5-12(15)20)26-18(29)22-8(3)14(25-26)16(21)27;1-7(2)10-6-13(22-23-16(10)26)30-15-11(19)4-9(5-12(15)20)25-18(29)21-8(3)14(24-25)17(27)28;1-7(2)10-6-13(22-23-16(10)26)28-14-11(18)4-9(5-12(14)19)25-17(27)21-8(3)15(20)24-25/h3-12,14-15,31H,2H2,1H3,(H,32,35);2-11,13,29H,1H2,(H,30,33);4-7H,3H2,1-2H3,(H2,21,27)(H,22,29)(H,24,28);4-7H,3H2,1-2H3,(H,21,29)(H,23,26)(H,27,28);4-7H,3H2,1-2H3,(H2,20,24)(H,21,27)(H,23,26)
• InChIKey: KGYMGKSKRPYXDA-UHFFFAOYSA-N
• XLogP: 23.86
• TPSA: 592.47 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2331.51
LogP ≤ 5	23.86
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-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-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (CID 159131504) is 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-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-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-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-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1C(=O)O.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1C(N)=O.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(-c5ccccc5)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(C)c5ccccc5)c4c3)c(Cl)c2)N=C1C#N.

What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The InChIKey is KGYMGKSKRPYXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2N5O2.C25H15Cl2N5O2.C18H16Cl2N6O4.C18H15Cl2N5O5.C17H16Cl2N6O3/c1-15(17-6-4-3-5-7-17)21-14-31-24-9-8-19(12-20(21)24)36-26-22(28)10-18(11-23(26)29)34-27(35)32-16(2)25(13-30)33-34;1-14-23(12-28)31-32(25(33)30-14)16-9-20(26)24(21(27)10-16)34-17-7-8-22-18(11-17)19(13-29-22)15-5-3-2-4-6-15;1-7(2)10-6-13(23-24-17(10)28)30-15-11(19)4-9(5-12(15)20)26-18(29)22-8(3)14(25-26)16(21)27;1-7(2)10-6-13(22-23-16(10)26)30-15-11(19)4-9(5-12(15)20)25-18(29)21-8(3)14(24-25)17(27)28;1-7(2)10-6-13(22-23-16(10)26)28-14-11(18)4-9(5-12(14)19)25-17(27)21-8(3)15(20)24-25/h3-12,14-15,31H,2H2,1H3,(H,32,35);2-11,13,29H,1H2,(H,30,33);4-7H,3H2,1-2H3,(H2,21,27)(H,22,29)(H,24,28);4-7H,3H2,1-2H3,(H,21,29)(H,23,26)(H,27,28);4-7H,3H2,1-2H3,(H2,20,24)(H,21,27)(H,23,26).

What are the key properties of 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 2331.51 g/mol, XLogP of 23.86, 23 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxamide;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[3-(1-phenylethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 159131504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).