2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one;2-(2-bromophenyl)-4-(2-methoxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one

C41H32Br2N8O4 — CID 162242296

IUPAC2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one;2-(2-bromophenyl)-4-(2-methoxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one
SMILESCOc1ccccc1N1CC(c2ccccn2)=NN(c2ccccc2Br)C1=O.O=C1N(c2ccccc2O)CC(c2ccccn2)=NN1c1ccccc1Br
InChIInChI=1S/C21H17BrN4O2.C20H15BrN4O2/c1-28-20-12-5-4-11-19(20)25-14-17(16-9-6-7-13-23-16)24-26(21(25)27)18-10-3-2-8-15(18)22;21-14-7-1-2-9-17(14)25-20(27)24(18-10-3-4-11-19(18)26)13-16(23-25)15-8-5-6-12-22-15/h2-13H,14H2,1H3;1-12,26H,13H2
InChIKeyZWWAMRUCTGTWEF-UHFFFAOYSA-N
MW860.57 g/mol
LogP9.10
Rot. Bonds7

About 2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one;2-(2-bromophenyl)-4-(2-methoxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one

2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one;2-(2-bromophenyl)-4-(2-methoxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one (PubChem CID 162242296) has the molecular formula C41H32Br2N8O4 and a molecular weight of 860.57 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one;2-(2-bromophenyl)-4-(2-methoxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one;2-(2-bromophenyl)-4-(2-methoxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one
PubChem CID162242296
Molecular FormulaC41H32Br2N8O4
Molecular Weight860.57 g/mol
Exact Mass858.09
IUPAC Name2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one;2-(2-bromophenyl)-4-(2-methoxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one
SMILESCOc1ccccc1N1CC(c2ccccn2)=NN(c2ccccc2Br)C1=O.O=C1N(c2ccccc2O)CC(c2ccccn2)=NN1c1ccccc1Br
InChIInChI=1S/C21H17BrN4O2.C20H15BrN4O2/c1-28-20-12-5-4-11-19(20)25-14-17(16-9-6-7-13-23-16)24-26(21(25)27)18-10-3-2-8-15(18)22;21-14-7-1-2-9-17(14)25-20(27)24(18-10-3-4-11-19(18)26)13-16(23-25)15-8-5-6-12-22-15/h2-13H,14H2,1H3;1-12,26H,13H2
InChIKeyZWWAMRUCTGTWEF-UHFFFAOYSA-N
XLogP9.10
TPSA127.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.57
LogP ≤ 59.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one;2-(2-bromophenyl)-4-(2-methoxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one with MolForge

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Related Compounds

2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one
CID 10202500
2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one
CID 68893251
2-(2-bromophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-6-pyridin-2-yl-4,5-dihydropyridazin-3-one
CID 10162031
4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one
CID 22632748
3-(2-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84786579
(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 53141256
4-hydroxy-1-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626548
5-amino-1-(2-methoxyphenyl)pyrimidin-2-one
CID 82043847
6-bromo-2-[3-hydroxy-5-imino-1-(2-methoxyphenyl)-2H-pyrrol-4-yl]-3H-quinazolin-4-one
CID 135424158
1-[5-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 90666574
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
(4Z)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-(2-hydroxyphenyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108625775

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one;2-(2-bromophenyl)-4-(2-methoxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one?
The IUPAC name of 2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one;2-(2-bromophenyl)-4-(2-methoxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one (CID 162242296) is 2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one;2-(2-bromophenyl)-4-(2-methoxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one.
What is the SMILES notation for 2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one;2-(2-bromophenyl)-4-(2-methoxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one?
The canonical SMILES for 2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one;2-(2-bromophenyl)-4-(2-methoxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one is COc1ccccc1N1CC(c2ccccn2)=NN(c2ccccc2Br)C1=O.O=C1N(c2ccccc2O)CC(c2ccccn2)=NN1c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one;2-(2-bromophenyl)-4-(2-methoxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one?
The InChIKey is ZWWAMRUCTGTWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O2.C20H15BrN4O2/c1-28-20-12-5-4-11-19(20)25-14-17(16-9-6-7-13-23-16)24-26(21(25)27)18-10-3-2-8-15(18)22;21-14-7-1-2-9-17(14)25-20(27)24(18-10-3-4-11-19(18)26)13-16(23-25)15-8-5-6-12-22-15/h2-13H,14H2,1H3;1-12,26H,13H2.
What are the key properties of 2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one;2-(2-bromophenyl)-4-(2-methoxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one?
2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one;2-(2-bromophenyl)-4-(2-methoxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one has a molecular weight of 860.57 g/mol, XLogP of 9.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one;2-(2-bromophenyl)-4-(2-methoxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one is sourced from PubChem (CID 162242296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).