2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione

C65H41Cl6N13O14 — CID 167539385

IUPAC2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione
SMILESN#Cc1nn(-c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccccc4)c3)c(Cl)c2)c(=O)[nH]c1=O.O=C(O)c1nn(-c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccccc4)c3)c(Cl)c2)c(=O)[nH]c1=O.O=c1cnn(-c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccccc4)c3)c(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C22H13Cl2N5O4.C22H14Cl2N4O6.C21H14Cl2N4O4/c23-16-8-14(29-22(32)26-21(31)18(10-25)27-29)9-17(24)20(16)33-15-6-7-19(30)28(12-15)11-13-4-2-1-3-5-13;23-15-8-13(28-22(33)25-20(30)18(26-28)21(31)32)9-16(24)19(15)34-14-6-7-17(29)27(11-14)10-12-4-2-1-3-5-12;22-16-8-14(27-21(30)25-18(28)10-24-27)9-17(23)20(16)31-15-6-7-19(29)26(12-15)11-13-4-2-1-3-5-13/h1-9,12H,11H2,(H,26,31,32);1-9,11H,10H2,(H,31,32)(H,25,30,33);1-10,12H,11H2,(H,25,28,30)
InChIKeyAYXCEXFNTOGOEG-UHFFFAOYSA-N
MW1440.84 g/mol
LogP9.26
Rot. Bonds16

About 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione

2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione (PubChem CID 167539385) has the molecular formula C65H41Cl6N13O14 and a molecular weight of 1440.84 g/mol. Its IUPAC name is 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione
PubChem CID167539385
Molecular FormulaC65H41Cl6N13O14
Molecular Weight1440.84 g/mol
Exact Mass1437.10
IUPAC Name2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione
SMILESN#Cc1nn(-c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccccc4)c3)c(Cl)c2)c(=O)[nH]c1=O.O=C(O)c1nn(-c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccccc4)c3)c(Cl)c2)c(=O)[nH]c1=O.O=c1cnn(-c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccccc4)c3)c(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C22H13Cl2N5O4.C22H14Cl2N4O6.C21H14Cl2N4O4/c23-16-8-14(29-22(32)26-21(31)18(10-25)27-29)9-17(24)20(16)33-15-6-7-19(30)28(12-15)11-13-4-2-1-3-5-13;23-15-8-13(28-22(33)25-20(30)18(26-28)21(31)32)9-16(24)19(15)34-14-6-7-17(29)27(11-14)10-12-4-2-1-3-5-12;22-16-8-14(27-21(30)25-18(28)10-24-27)9-17(23)20(16)31-15-6-7-19(29)26(12-15)11-13-4-2-1-3-5-13/h1-9,12H,11H2,(H,26,31,32);1-9,11H,10H2,(H,31,32)(H,25,30,33);1-10,12H,11H2,(H,25,28,30)
InChIKeyAYXCEXFNTOGOEG-UHFFFAOYSA-N
XLogP9.26
TPSA358.03 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001440.84
LogP ≤ 59.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione (CID 167539385) is 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione is N#Cc1nn(-c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccccc4)c3)c(Cl)c2)c(=O)[nH]c1=O.O=C(O)c1nn(-c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccccc4)c3)c(Cl)c2)c(=O)[nH]c1=O.O=c1cnn(-c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccccc4)c3)c(Cl)c2)c(=O)[nH]1.
What is the InChIKey of 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione?
The InChIKey is AYXCEXFNTOGOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2N5O4.C22H14Cl2N4O6.C21H14Cl2N4O4/c23-16-8-14(29-22(32)26-21(31)18(10-25)27-29)9-17(24)20(16)33-15-6-7-19(30)28(12-15)11-13-4-2-1-3-5-13;23-15-8-13(28-22(33)25-20(30)18(26-28)21(31)32)9-16(24)19(15)34-14-6-7-17(29)27(11-14)10-12-4-2-1-3-5-12;22-16-8-14(27-21(30)25-18(28)10-24-27)9-17(23)20(16)31-15-6-7-19(29)26(12-15)11-13-4-2-1-3-5-13/h1-9,12H,11H2,(H,26,31,32);1-9,11H,10H2,(H,31,32)(H,25,30,33);1-10,12H,11H2,(H,25,28,30).
What are the key properties of 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione?
2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione has a molecular weight of 1440.84 g/mol, XLogP of 9.26, 16 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 167539385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).