2-[4-[(3-benzyl-1H-indol-5-yl)oxy]-3,5-dichlorophenyl]-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-methyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-(1H-indol-5-yloxy)phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

C110H76Cl10N26O11 — CID 160673824

About 2-[4-[(3-benzyl-1H-indol-5-yl)oxy]-3,5-dichlorophenyl]-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-methyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-(1H-indol-5-yloxy)phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

2-[4-[(3-benzyl-1H-indol-5-yl)oxy]-3,5-dichlorophenyl]-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-methyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-(1H-indol-5-yloxy)phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (PubChem CID 160673824) has the molecular formula C110H76Cl10N26O11 and a molecular weight of 2292.52 g/mol. Its IUPAC name is 2-[4-[(3-benzyl-1H-indol-5-yl)oxy]-3,5-dichlorophenyl]-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-methyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-(1H-indol-5-yloxy)phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

Molecular Properties

• Compound Name: 2-[4-[(3-benzyl-1H-indol-5-yl)oxy]-3,5-dichlorophenyl]-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-methyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-(1H-indol-5-yloxy)phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• PubChem CID: 160673824
• Molecular Formula: C110H76Cl10N26O11
• Molecular Weight: 2292.52 g/mol
• Exact Mass: 2286.31
• IUPAC Name: 2-[4-[(3-benzyl-1H-indol-5-yl)oxy]-3,5-dichlorophenyl]-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-methyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-(1H-indol-5-yloxy)phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• SMILES: C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(=O)NC)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(C)C)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(CCC)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(Cc5ccccc5)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]ccc4c3)c(Cl)c2)N=C1C#N
• InChI: InChI=1S/C26H17Cl2N5O2.2C22H17Cl2N5O2.C21H14Cl2N6O3.C19H11Cl2N5O2/c1-15-24(13-29)32-33(26(34)31-15)18-10-21(27)25(22(28)11-18)35-19-7-8-23-20(12-19)17(14-30-23)9-16-5-3-2-4-6-16;1-11(2)16-10-26-19-5-4-14(8-15(16)19)31-21-17(23)6-13(7-18(21)24)29-22(30)27-12(3)20(9-25)28-29;1-3-4-13-11-26-19-6-5-15(9-16(13)19)31-21-17(23)7-14(8-18(21)24)29-22(30)27-12(2)20(10-25)28-29;1-10-18(8-24)28-29(21(31)27-10)11-5-15(22)19(16(23)6-11)32-12-3-4-17-13(7-12)14(9-26-17)20(30)25-2;1-10-17(9-22)25-26(19(27)24-10)12-7-14(20)18(15(21)8-12)28-13-2-3-16-11(6-13)4-5-23-16/h2-8,10-12,14,30H,1,9H2,(H,31,34);4-8,10-11,26H,3H2,1-2H3,(H,27,30);5-9,11,26H,2-4H2,1H3,(H,27,30);3-7,9,26H,1H2,2H3,(H,25,30)(H,27,31);2-8,23H,1H2,(H,24,27)
• InChIKey: RNGVVCRKEKHUTJ-UHFFFAOYSA-N
• XLogP: 28.98
• TPSA: 496.65 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2292.52
LogP ≤ 5	28.98
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-benzyl-1H-indol-5-yl)oxy]-3,5-dichlorophenyl]-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-methyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-(1H-indol-5-yloxy)phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The IUPAC name of 2-[4-[(3-benzyl-1H-indol-5-yl)oxy]-3,5-dichlorophenyl]-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-methyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-(1H-indol-5-yloxy)phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (CID 160673824) is 2-[4-[(3-benzyl-1H-indol-5-yl)oxy]-3,5-dichlorophenyl]-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-methyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-(1H-indol-5-yloxy)phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

What is the SMILES notation for 2-[4-[(3-benzyl-1H-indol-5-yl)oxy]-3,5-dichlorophenyl]-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-methyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-(1H-indol-5-yloxy)phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The canonical SMILES for 2-[4-[(3-benzyl-1H-indol-5-yl)oxy]-3,5-dichlorophenyl]-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-methyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-(1H-indol-5-yloxy)phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(=O)NC)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(C)C)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(CCC)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(Cc5ccccc5)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]ccc4c3)c(Cl)c2)N=C1C#N.

What is the InChIKey of 2-[4-[(3-benzyl-1H-indol-5-yl)oxy]-3,5-dichlorophenyl]-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-methyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-(1H-indol-5-yloxy)phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The InChIKey is RNGVVCRKEKHUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2N5O2.2C22H17Cl2N5O2.C21H14Cl2N6O3.C19H11Cl2N5O2/c1-15-24(13-29)32-33(26(34)31-15)18-10-21(27)25(22(28)11-18)35-19-7-8-23-20(12-19)17(14-30-23)9-16-5-3-2-4-6-16;1-11(2)16-10-26-19-5-4-14(8-15(16)19)31-21-17(23)6-13(7-18(21)24)29-22(30)27-12(3)20(9-25)28-29;1-3-4-13-11-26-19-6-5-15(9-16(13)19)31-21-17(23)7-14(8-18(21)24)29-22(30)27-12(2)20(10-25)28-29;1-10-18(8-24)28-29(21(31)27-10)11-5-15(22)19(16(23)6-11)32-12-3-4-17-13(7-12)14(9-26-17)20(30)25-2;1-10-17(9-22)25-26(19(27)24-10)12-7-14(20)18(15(21)8-12)28-13-2-3-16-11(6-13)4-5-23-16/h2-8,10-12,14,30H,1,9H2,(H,31,34);4-8,10-11,26H,3H2,1-2H3,(H,27,30);5-9,11,26H,2-4H2,1H3,(H,27,30);3-7,9,26H,1H2,2H3,(H,25,30)(H,27,31);2-8,23H,1H2,(H,24,27).

What are the key properties of 2-[4-[(3-benzyl-1H-indol-5-yl)oxy]-3,5-dichlorophenyl]-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-methyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-(1H-indol-5-yloxy)phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

2-[4-[(3-benzyl-1H-indol-5-yl)oxy]-3,5-dichlorophenyl]-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-methyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-(1H-indol-5-yloxy)phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 2292.52 g/mol, XLogP of 28.98, 21 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3-benzyl-1H-indol-5-yl)oxy]-3,5-dichlorophenyl]-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-methyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-(1H-indol-5-yloxy)phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 160673824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).