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

C20H15BrN4O2 — CID 10202500

IUPAC2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one
SMILESO=C1N(c2ccccc2O)CC(c2ccccn2)=NN1c1ccccc1Br
InChIInChI=1S/C20H15BrN4O2/c21-14-7-1-2-9-17(14)25-20(27)24(18-10-3-4-11-19(18)26)13-16(23-25)15-8-5-6-12-22-15/h1-12,26H,13H2
InChIKeyRRNUYWMDDAECQQ-UHFFFAOYSA-N
MW423.27 g/mol
LogP4.40
Rot. Bonds3

About 2-(2-bromophenyl)-4-(2-hydroxyphenyl)-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 (PubChem CID 10202500) has the molecular formula C20H15BrN4O2 and a molecular weight of 423.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-(2-hydroxyphenyl)-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
PubChem CID10202500
Molecular FormulaC20H15BrN4O2
Molecular Weight423.27 g/mol
Exact Mass422.04
IUPAC Name2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one
SMILESO=C1N(c2ccccc2O)CC(c2ccccn2)=NN1c1ccccc1Br
InChIInChI=1S/C20H15BrN4O2/c21-14-7-1-2-9-17(14)25-20(27)24(18-10-3-4-11-19(18)26)13-16(23-25)15-8-5-6-12-22-15/h1-12,26H,13H2
InChIKeyRRNUYWMDDAECQQ-UHFFFAOYSA-N
XLogP4.40
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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?
The IUPAC name of 2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one (CID 10202500) is 2-(2-bromophenyl)-4-(2-hydroxyphenyl)-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?
The canonical SMILES for 2-(2-bromophenyl)-4-(2-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one is 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?
The InChIKey is RRNUYWMDDAECQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O2/c21-14-7-1-2-9-17(14)25-20(27)24(18-10-3-4-11-19(18)26)13-16(23-25)15-8-5-6-12-22-15/h1-12,26H,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-hydroxyphenyl)-6-pyridin-2-yl-5H-1,2,4-triazin-3-one has a molecular weight of 423.27 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 10202500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).