5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[(3-isocyano-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

C103H77Cl10N29O12 — CID 162221913

About 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[(3-isocyano-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[(3-isocyano-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (PubChem CID 162221913) has the molecular formula C103H77Cl10N29O12 and a molecular weight of 2267.47 g/mol. Its IUPAC name is 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[(3-isocyano-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

Molecular Properties

• Compound Name: 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[(3-isocyano-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• PubChem CID: 162221913
• Molecular Formula: C103H77Cl10N29O12
• Molecular Weight: 2267.47 g/mol
• Exact Mass: 2261.32
• IUPAC Name: 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[(3-isocyano-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• SMILES: C=C1NC(=O)C(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)=NN1C.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(=O)NC(C)C)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(C)C)c4n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(CCC)c4n3)c(Cl)c2)N=C1C#N.[C-]#[N+]c1c[nH]c2ccc(Oc3c(Cl)cc(N4N=C(C#N)C(=C)NC4=O)cc3Cl)cc12
• InChI: InChI=1S/C23H18Cl2N6O3.2C21H16Cl2N6O2.C20H10Cl2N6O2.C18H17Cl2N5O3/c1-11(2)28-22(32)16-10-27-19-5-4-14(8-15(16)19)34-21-17(24)6-13(7-18(21)25)31-23(33)29-12(3)20(9-26)30-31;1-10(2)13-9-25-16-4-5-18(27-19(13)16)31-20-14(22)6-12(7-15(20)23)29-21(30)26-11(3)17(8-24)28-29;1-3-4-12-10-25-16-5-6-18(27-19(12)16)31-20-14(22)7-13(8-15(20)23)29-21(30)26-11(2)17(9-24)28-29;1-10-17(8-23)27-28(20(29)26-10)11-5-14(21)19(15(22)6-11)30-12-3-4-16-13(7-12)18(24-2)9-25-16;1-8(2)11-7-14(22-23-17(11)26)28-16-12(19)5-10(6-13(16)20)15-18(27)21-9(3)25(4)24-15/h4-8,10-11,27H,3H2,1-2H3,(H,28,32)(H,29,33);4-7,9-10,25H,3H2,1-2H3,(H,26,30);5-8,10,25H,2-4H2,1H3,(H,26,30);3-7,9,25H,1H2,(H,26,29);5-8H,3H2,1-2,4H3,(H,21,27)(H,23,26)
• InChIKey: ZUFVFWGEGKELEW-UHFFFAOYSA-N
• XLogP: 25.54
• TPSA: 532.96 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2267.47
LogP ≤ 5	25.54
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[(3-isocyano-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The IUPAC name of 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[(3-isocyano-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (CID 162221913) is 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[(3-isocyano-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

What is the SMILES notation for 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[(3-isocyano-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The canonical SMILES for 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[(3-isocyano-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is C=C1NC(=O)C(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)=NN1C.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(=O)NC(C)C)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(C)C)c4n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(CCC)c4n3)c(Cl)c2)N=C1C#N.[C-]#[N+]c1c[nH]c2ccc(Oc3c(Cl)cc(N4N=C(C#N)C(=C)NC4=O)cc3Cl)cc12.

What is the InChIKey of 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[(3-isocyano-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The InChIKey is ZUFVFWGEGKELEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N6O3.2C21H16Cl2N6O2.C20H10Cl2N6O2.C18H17Cl2N5O3/c1-11(2)28-22(32)16-10-27-19-5-4-14(8-15(16)19)34-21-17(24)6-13(7-18(21)25)31-23(33)29-12(3)20(9-26)30-31;1-10(2)13-9-25-16-4-5-18(27-19(13)16)31-20-14(22)6-12(7-15(20)23)29-21(30)26-11(3)17(8-24)28-29;1-3-4-12-10-25-16-5-6-18(27-19(12)16)31-20-14(22)7-13(8-15(20)23)29-21(30)26-11(2)17(9-24)28-29;1-10-17(8-23)27-28(20(29)26-10)11-5-14(21)19(15(22)6-11)30-12-3-4-16-13(7-12)18(24-2)9-25-16;1-8(2)11-7-14(22-23-17(11)26)28-16-12(19)5-10(6-13(16)20)15-18(27)21-9(3)25(4)24-15/h4-8,10-11,27H,3H2,1-2H3,(H,28,32)(H,29,33);4-7,9-10,25H,3H2,1-2H3,(H,26,30);5-8,10,25H,2-4H2,1H3,(H,26,30);3-7,9,25H,1H2,(H,26,29);5-8H,3H2,1-2,4H3,(H,21,27)(H,23,26).

What are the key properties of 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[(3-isocyano-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[(3-isocyano-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 2267.47 g/mol, XLogP of 25.54, 21 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[(3-isocyano-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 162221913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).