6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;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

C112H82Cl8N26O11 — CID 161380751

About 6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;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

6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;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 (PubChem CID 161380751) has the molecular formula C112H82Cl8N26O11 and a molecular weight of 2251.68 g/mol. Its IUPAC name is 6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;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.

Molecular Properties

• Compound Name: 6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;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
• PubChem CID: 161380751
• Molecular Formula: C112H82Cl8N26O11
• Molecular Weight: 2251.68 g/mol
• Exact Mass: 2246.42
• IUPAC Name: 6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;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
• SMILES: C=C1NC(=O)N(c2cc(C)c(Cc3ccc(O)c(-c4ccccc4)n3)c(C)c2)N=C1N.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(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.C24H23N5O2.C22H17Cl2N5O2.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;1-14-11-19(29-24(31)26-16(3)23(25)28-29)12-15(2)20(14)13-18-9-10-21(30)22(27-18)17-7-5-4-6-8-17;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;1-10-18(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);4-12,30H,3,13H2,1-2H3,(H2,25,28)(H,26,31);4-8,10-11,26H,3H2,1-2H3,(H,27,30);3-7,9,26H,1H2,2H3,(H,25,30)(H,27,31);2-8,23H,1H2,(H,24,27)
• InChIKey: VRRORQKWLHMFNM-UHFFFAOYSA-N
• XLogP: 26.81
• TPSA: 506.98 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2251.68
LogP ≤ 5	26.81
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;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?

The IUPAC name of 6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;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 (CID 161380751) is 6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;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.

What is the SMILES notation for 6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;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?

The canonical SMILES for 6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;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 is C=C1NC(=O)N(c2cc(C)c(Cc3ccc(O)c(-c4ccccc4)n3)c(C)c2)N=C1N.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(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 6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;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?

The InChIKey is VRRORQKWLHMFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2N5O2.C24H23N5O2.C22H17Cl2N5O2.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;1-14-11-19(29-24(31)26-16(3)23(25)28-29)12-15(2)20(14)13-18-9-10-21(30)22(27-18)17-7-5-4-6-8-17;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;1-10-18(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);4-12,30H,3,13H2,1-2H3,(H2,25,28)(H,26,31);4-8,10-11,26H,3H2,1-2H3,(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 6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;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?

6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;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 has a molecular weight of 2251.68 g/mol, XLogP of 26.81, 20 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;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 is sourced from PubChem (CID 161380751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).