6-amino-2-[3,5-dichloro-2-methyl-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-6-(methylsulfanylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylsulfonylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

C105H106Cl6N28O14S2 — CID 162087734

About 6-amino-2-[3,5-dichloro-2-methyl-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-6-(methylsulfanylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylsulfonylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

6-amino-2-[3,5-dichloro-2-methyl-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-6-(methylsulfanylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylsulfonylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (PubChem CID 162087734) has the molecular formula C105H106Cl6N28O14S2 and a molecular weight of 2261.04 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-2-methyl-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-6-(methylsulfanylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylsulfonylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-2-[3,5-dichloro-2-methyl-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-6-(methylsulfanylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylsulfonylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• PubChem CID: 162087734
• Molecular Formula: C105H106Cl6N28O14S2
• Molecular Weight: 2261.04 g/mol
• Exact Mass: 2256.60
• IUPAC Name: 6-amino-2-[3,5-dichloro-2-methyl-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-6-(methylsulfanylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylsulfonylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• SMILES: C=C1NC(=O)N(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4n3)c(C)c2)N=C1C#N.C=C1NC(=O)N(c2cc(C)c(Cc3ccc4n[nH]c(CCCCC)c4c3)c(C)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CSC.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2C)N=C1N.CC(C)c1cc(Oc2c(Cl)cc(-n3nc(CS(C)(=O)=O)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O
• InChI: InChI=1S/C26H28N6O.C24H24N6O.C19H19Cl2N5O3S.C18H18Cl2N6O3.C18H17Cl2N5O6S/c1-5-6-7-8-23-22-14-19(9-10-24(22)30-29-23)13-21-16(2)11-20(12-17(21)3)32-26(33)28-18(4)25(15-27)31-32;1-13(2)20-12-26-21-7-6-17(28-23(20)21)10-19-14(3)8-18(9-15(19)4)30-24(31)27-16(5)22(11-25)29-30;1-9(2)12-7-16(23-24-18(12)27)29-17-13(20)5-11(6-14(17)21)26-19(28)22-10(3)15(25-26)8-30-4;1-7(2)10-5-13(23-24-17(10)27)29-15-11(19)6-12(8(3)14(15)20)26-18(28)22-9(4)16(21)25-26;1-8(2)10-6-14(22-23-16(10)26)31-15-11(19)4-9(5-12(15)20)25-18(28)21-17(27)13(24-25)7-32(3,29)30/h9-12,14H,4-8,13H2,1-3H3,(H,28,33)(H,29,30);6-9,12-13,26H,5,10H2,1-4H3,(H,27,31);5-7,9H,3,8H2,1-2,4H3,(H,22,28)(H,24,27);5-7H,4H2,1-3H3,(H2,21,25)(H,22,28)(H,24,27);4-6,8H,7H2,1-3H3,(H,23,26)(H,21,27,28)
• InChIKey: ZDEQJSVWDGXIAY-UHFFFAOYSA-N
• XLogP: 20.39
• TPSA: 576.59 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2261.04
LogP ≤ 5	20.39
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3,5-dichloro-2-methyl-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-6-(methylsulfanylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylsulfonylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The IUPAC name of 6-amino-2-[3,5-dichloro-2-methyl-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-6-(methylsulfanylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylsulfonylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (CID 162087734) is 6-amino-2-[3,5-dichloro-2-methyl-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-6-(methylsulfanylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylsulfonylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

What is the SMILES notation for 6-amino-2-[3,5-dichloro-2-methyl-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-6-(methylsulfanylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylsulfonylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The canonical SMILES for 6-amino-2-[3,5-dichloro-2-methyl-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-6-(methylsulfanylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylsulfonylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is C=C1NC(=O)N(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4n3)c(C)c2)N=C1C#N.C=C1NC(=O)N(c2cc(C)c(Cc3ccc4n[nH]c(CCCCC)c4c3)c(C)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CSC.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2C)N=C1N.CC(C)c1cc(Oc2c(Cl)cc(-n3nc(CS(C)(=O)=O)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O.

What is the InChIKey of 6-amino-2-[3,5-dichloro-2-methyl-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-6-(methylsulfanylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylsulfonylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The InChIKey is ZDEQJSVWDGXIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O.C24H24N6O.C19H19Cl2N5O3S.C18H18Cl2N6O3.C18H17Cl2N5O6S/c1-5-6-7-8-23-22-14-19(9-10-24(22)30-29-23)13-21-16(2)11-20(12-17(21)3)32-26(33)28-18(4)25(15-27)31-32;1-13(2)20-12-26-21-7-6-17(28-23(20)21)10-19-14(3)8-18(9-15(19)4)30-24(31)27-16(5)22(11-25)29-30;1-9(2)12-7-16(23-24-18(12)27)29-17-13(20)5-11(6-14(17)21)26-19(28)22-10(3)15(25-26)8-30-4;1-7(2)10-5-13(23-24-17(10)27)29-15-11(19)6-12(8(3)14(15)20)26-18(28)22-9(4)16(21)25-26;1-8(2)10-6-14(22-23-16(10)26)31-15-11(19)4-9(5-12(15)20)25-18(28)21-17(27)13(24-25)7-32(3,29)30/h9-12,14H,4-8,13H2,1-3H3,(H,28,33)(H,29,30);6-9,12-13,26H,5,10H2,1-4H3,(H,27,31);5-7,9H,3,8H2,1-2,4H3,(H,22,28)(H,24,27);5-7H,4H2,1-3H3,(H2,21,25)(H,22,28)(H,24,27);4-6,8H,7H2,1-3H3,(H,23,26)(H,21,27,28).

What are the key properties of 6-amino-2-[3,5-dichloro-2-methyl-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-6-(methylsulfanylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylsulfonylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

6-amino-2-[3,5-dichloro-2-methyl-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-6-(methylsulfanylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylsulfonylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 2261.04 g/mol, XLogP of 20.39, 27 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[3,5-dichloro-2-methyl-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-6-(methylsulfanylmethyl)-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylsulfonylmethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dimethyl-4-[(3-pentyl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 162087734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).