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

C15H14ClN3O — CID 584005

IUPAC3-(4-chlorophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine
SMILESCN1NC(c2ccccc2)ON=C1c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O/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
InChIKeyJOQBFVOHJIVGAJ-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.17
Rot. Bonds2

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

3-(4-chlorophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine (PubChem CID 584005) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine
PubChem CID584005
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name3-(4-chlorophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine
SMILESCN1NC(c2ccccc2)ON=C1c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O/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
InChIKeyJOQBFVOHJIVGAJ-UHFFFAOYSA-N
XLogP3.17
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine?
The IUPAC name of 3-(4-chlorophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine (CID 584005) is 3-(4-chlorophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine.
What is the SMILES notation for 3-(4-chlorophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine?
The canonical SMILES for 3-(4-chlorophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine is CN1NC(c2ccccc2)ON=C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine?
The InChIKey is JOQBFVOHJIVGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/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-chlorophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine?
3-(4-chlorophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine has a molecular weight of 287.75 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-methyl-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine is sourced from PubChem (CID 584005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).