6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-methyl-1H-indole-3-carboxamide

C103H90Cl8N28O13 — CID 161119241

About 6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-methyl-1H-indole-3-carboxamide

6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-methyl-1H-indole-3-carboxamide (PubChem CID 161119241) has the molecular formula C103H90Cl8N28O13 and a molecular weight of 2211.66 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-methyl-1H-indole-3-carboxamide.

Molecular Properties

• Compound Name: 6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-methyl-1H-indole-3-carboxamide
• PubChem CID: 161119241
• Molecular Formula: C103H90Cl8N28O13
• Molecular Weight: 2211.66 g/mol
• Exact Mass: 2206.48
• IUPAC Name: 6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-methyl-1H-indole-3-carboxamide
• 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(Oc3cc(C4CCC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCCC4)c(=O)[nH]n3)c(Cl)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=C1N
• InChI: InChI=1S/C24H23N5O2.C21H14Cl2N6O3.C21H19Cl2N5O2.C19H18Cl2N6O3.C18H16Cl2N6O3/c1-14-11-19(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;1-10-18(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(2)15-9-25-18-5-4-13(8-14(15)18)30-19-16(22)6-12(7-17(19)23)28-21(29)26-11(3)20(24)27-28;1-9-17(22)26-27(19(29)23-9)11-6-13(20)16(14(21)7-11)30-15-8-12(18(28)25-24-15)10-4-2-3-5-10;1-8-16(21)25-26(18(28)22-8)10-5-12(19)15(13(20)6-10)29-14-7-11(9-3-2-4-9)17(27)24-23-14/h4-12,30H,3,13H2,1-2H3,(H2,25,28)(H,26,31);3-7,9,26H,1H2,2H3,(H,25,30)(H,27,31);4-10,25H,3H2,1-2H3,(H2,24,27)(H,26,29);6-8,10H,1-5H2,(H2,22,26)(H,23,29)(H,25,28);5-7,9H,1-4H2,(H2,21,25)(H,22,28)(H,24,27)
• InChIKey: UKSOWCCNYOVBIK-UHFFFAOYSA-N
• XLogP: 21.53
• TPSA: 573.59 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2211.66
LogP ≤ 5	21.53
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-methyl-1H-indole-3-carboxamide?

The IUPAC name of 6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-methyl-1H-indole-3-carboxamide (CID 161119241) is 6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-methyl-1H-indole-3-carboxamide.

What is the SMILES notation for 6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-methyl-1H-indole-3-carboxamide?

The canonical SMILES for 6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-methyl-1H-indole-3-carboxamide 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(Oc3cc(C4CCC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCCC4)c(=O)[nH]n3)c(Cl)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=C1N.

What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-methyl-1H-indole-3-carboxamide?

The InChIKey is UKSOWCCNYOVBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2.C21H14Cl2N6O3.C21H19Cl2N5O2.C19H18Cl2N6O3.C18H16Cl2N6O3/c1-14-11-19(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;1-10-18(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(2)15-9-25-18-5-4-13(8-14(15)18)30-19-16(22)6-12(7-17(19)23)28-21(29)26-11(3)20(24)27-28;1-9-17(22)26-27(19(29)23-9)11-6-13(20)16(14(21)7-11)30-15-8-12(18(28)25-24-15)10-4-2-3-5-10;1-8-16(21)25-26(18(28)22-8)10-5-12(19)15(13(20)6-10)29-14-7-11(9-3-2-4-9)17(27)24-23-14/h4-12,30H,3,13H2,1-2H3,(H2,25,28)(H,26,31);3-7,9,26H,1H2,2H3,(H,25,30)(H,27,31);4-10,25H,3H2,1-2H3,(H2,24,27)(H,26,29);6-8,10H,1-5H2,(H2,22,26)(H,23,29)(H,25,28);5-7,9H,1-4H2,(H2,21,25)(H,22,28)(H,24,27).

What are the key properties of 6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-methyl-1H-indole-3-carboxamide?

6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-methyl-1H-indole-3-carboxamide has a molecular weight of 2211.66 g/mol, XLogP of 21.53, 20 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[3,5-dichloro-4-[(5-cyclobutyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-cyclopentyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[4-[(5-hydroxy-6-phenyl-2-pyridinyl)methyl]-3,5-dimethylphenyl]-5-methylidene-1,2,4-triazin-3-one;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 161119241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).