3-(4-bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine

C15H14BrN3O — CID 584020

IUPAC3-(4-bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine
SMILESCN1NC(c2ccccc2)ON=C1c1ccc(Br)cc1
InChIInChI=1S/C15H14BrN3O/c1-19-14(11-7-9-13(16)10-8-11)18-20-15(17-19)12-5-3-2-4-6-12/h2-10,15,17H,1H3
InChIKeyOHVSWVLSIQLUFV-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.28
Rot. Bonds2

About 3-(4-bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine

3-(4-bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine (PubChem CID 584020) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine
PubChem CID584020
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name3-(4-bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine
SMILESCN1NC(c2ccccc2)ON=C1c1ccc(Br)cc1
InChIInChI=1S/C15H14BrN3O/c1-19-14(11-7-9-13(16)10-8-11)18-20-15(17-19)12-5-3-2-4-6-12/h2-10,15,17H,1H3
InChIKeyOHVSWVLSIQLUFV-UHFFFAOYSA-N
XLogP3.28
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Bromophenyl)-4-methyl-6-(4-methylphenyl)-5,6-dihydro-1,2,4,5-oxatriazine
CID 134920273
6-(4-Fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-4H-[1,2,4,5]oxatriazine
CID 592212
3-(4-Bromophenyl)-4,6-dimethyl-5,6-dihydro-4H-[1,2,4,5]oxatriazine
CID 551556
4-Methyl-3,6-diphenyl-5,6-dihydro-4H-[1,2,4,5]oxatriazine
CID 555573
4-Methyl-3-phenyl-6-p-tolyl-5,6-dihydro-4H-[1,2,4,5]oxatriazine
CID 590370
3-(4-Bromophenyl)-6-isopropyl-4-methyl-5,6-dihydro-4H-[1,2,4,5]oxatriazine
CID 620339
3-(4-Bromophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole
CID 13793484
N'-[(4-bromophenyl)methoxy]benzenecarboximidamide
CID 16544846

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine?
The IUPAC name of 3-(4-bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine (CID 584020) is 3-(4-bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine.
What is the SMILES notation for 3-(4-bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine?
The canonical SMILES for 3-(4-bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine is CN1NC(c2ccccc2)ON=C1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine?
The InChIKey is OHVSWVLSIQLUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-19-14(11-7-9-13(16)10-8-11)18-20-15(17-19)12-5-3-2-4-6-12/h2-10,15,17H,1H3.
What are the key properties of 3-(4-bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine?
3-(4-bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine has a molecular weight of 332.20 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine is sourced from PubChem (CID 584020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).