5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-3-carboxamide;2-[3,5-dichloro-4-[3-iodo-1-(4-methylphenyl)sulfonylindol-5-yl]oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;N-methylmethanamine

C76H55Cl6IN18O15S2 — CID 158827513

About 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-3-carboxamide;2-[3,5-dichloro-4-[3-iodo-1-(4-methylphenyl)sulfonylindol-5-yl]oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;N-methylmethanamine

5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-3-carboxamide;2-[3,5-dichloro-4-[3-iodo-1-(4-methylphenyl)sulfonylindol-5-yl]oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;N-methylmethanamine (PubChem CID 158827513) has the molecular formula C76H55Cl6IN18O15S2 and a molecular weight of 1864.14 g/mol. Its IUPAC name is 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-3-carboxamide;2-[3,5-dichloro-4-[3-iodo-1-(4-methylphenyl)sulfonylindol-5-yl]oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;N-methylmethanamine.

Molecular Properties

• Compound Name: 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-3-carboxamide;2-[3,5-dichloro-4-[3-iodo-1-(4-methylphenyl)sulfonylindol-5-yl]oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;N-methylmethanamine
• PubChem CID: 158827513
• Molecular Formula: C76H55Cl6IN18O15S2
• Molecular Weight: 1864.14 g/mol
• Exact Mass: 1860.07
• IUPAC Name: 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-3-carboxamide;2-[3,5-dichloro-4-[3-iodo-1-(4-methylphenyl)sulfonylindol-5-yl]oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;N-methylmethanamine
• SMILES: CN(C)C(=O)c1c[nH]c2ccc(Oc3c(Cl)cc(-n4nc(C#N)c(=O)[nH]c4=O)cc3Cl)cc12.CNC.Cc1ccc(S(=O)(=O)n2cc(C(=O)N(C)C)c3cc(Oc4c(Cl)cc(-n5nc(C#N)c(=O)[nH]c5=O)cc4Cl)ccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3cc(Oc4c(Cl)cc(-n5nc(C#N)c(=O)[nH]c5=O)cc4Cl)ccc32)cc1
• InChI: InChI=1S/C28H20Cl2N6O6S.C25H14Cl2IN5O5S.C21H14Cl2N6O4.C2H7N/c1-15-4-7-18(8-5-15)43(40,41)35-14-20(27(38)34(2)3)19-12-17(6-9-24(19)35)42-25-21(29)10-16(11-22(25)30)36-28(39)32-26(37)23(13-31)33-36;1-13-2-5-16(6-3-13)39(36,37)32-12-20(28)17-10-15(4-7-22(17)32)38-23-18(26)8-14(9-19(23)27)33-25(35)30-24(34)21(11-29)31-33;1-28(2)20(31)13-9-25-16-4-3-11(7-12(13)16)33-18-14(22)5-10(6-15(18)23)29-21(32)26-19(30)17(8-24)27-29;1-3-2/h4-12,14H,1-3H3,(H,32,37,39);2-10,12H,1H3,(H,30,34,35);3-7,9,25H,1-2H3,(H,26,30,32);3H,1-2H3
• InChIKey: IWQCKHVOAQJATJ-UHFFFAOYSA-N
• XLogP: 12.00
• TPSA: 448.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1864.14
LogP ≤ 5	12.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-3-carboxamide;2-[3,5-dichloro-4-[3-iodo-1-(4-methylphenyl)sulfonylindol-5-yl]oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;N-methylmethanamine?

The IUPAC name of 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-3-carboxamide;2-[3,5-dichloro-4-[3-iodo-1-(4-methylphenyl)sulfonylindol-5-yl]oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;N-methylmethanamine (CID 158827513) is 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-3-carboxamide;2-[3,5-dichloro-4-[3-iodo-1-(4-methylphenyl)sulfonylindol-5-yl]oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;N-methylmethanamine.

What is the SMILES notation for 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-3-carboxamide;2-[3,5-dichloro-4-[3-iodo-1-(4-methylphenyl)sulfonylindol-5-yl]oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;N-methylmethanamine?

The canonical SMILES for 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-3-carboxamide;2-[3,5-dichloro-4-[3-iodo-1-(4-methylphenyl)sulfonylindol-5-yl]oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;N-methylmethanamine is CN(C)C(=O)c1c[nH]c2ccc(Oc3c(Cl)cc(-n4nc(C#N)c(=O)[nH]c4=O)cc3Cl)cc12.CNC.Cc1ccc(S(=O)(=O)n2cc(C(=O)N(C)C)c3cc(Oc4c(Cl)cc(-n5nc(C#N)c(=O)[nH]c5=O)cc4Cl)ccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3cc(Oc4c(Cl)cc(-n5nc(C#N)c(=O)[nH]c5=O)cc4Cl)ccc32)cc1.

What is the InChIKey of 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-3-carboxamide;2-[3,5-dichloro-4-[3-iodo-1-(4-methylphenyl)sulfonylindol-5-yl]oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;N-methylmethanamine?

The InChIKey is IWQCKHVOAQJATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2N6O6S.C25H14Cl2IN5O5S.C21H14Cl2N6O4.C2H7N/c1-15-4-7-18(8-5-15)43(40,41)35-14-20(27(38)34(2)3)19-12-17(6-9-24(19)35)42-25-21(29)10-16(11-22(25)30)36-28(39)32-26(37)23(13-31)33-36;1-13-2-5-16(6-3-13)39(36,37)32-12-20(28)17-10-15(4-7-22(17)32)38-23-18(26)8-14(9-19(23)27)33-25(35)30-24(34)21(11-29)31-33;1-28(2)20(31)13-9-25-16-4-3-11(7-12(13)16)33-18-14(22)5-10(6-15(18)23)29-21(32)26-19(30)17(8-24)27-29;1-3-2/h4-12,14H,1-3H3,(H,32,37,39);2-10,12H,1H3,(H,30,34,35);3-7,9,25H,1-2H3,(H,26,30,32);3H,1-2H3.

What are the key properties of 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-3-carboxamide;2-[3,5-dichloro-4-[3-iodo-1-(4-methylphenyl)sulfonylindol-5-yl]oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;N-methylmethanamine?

5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-3-carboxamide;2-[3,5-dichloro-4-[3-iodo-1-(4-methylphenyl)sulfonylindol-5-yl]oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;N-methylmethanamine has a molecular weight of 1864.14 g/mol, XLogP of 12.00, 15 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-3-carboxamide;2-[3,5-dichloro-4-[3-iodo-1-(4-methylphenyl)sulfonylindol-5-yl]oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;N-methylmethanamine is sourced from PubChem (CID 158827513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).