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

C15H14FN3O — CID 592212

IUPAC6-(4-fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine
SMILESCN1NC(c2ccc(F)cc2)ON=C1c1ccccc1
InChIInChI=1S/C15H14FN3O/c1-19-14(11-5-3-2-4-6-11)18-20-15(17-19)12-7-9-13(16)10-8-12/h2-10,15,17H,1H3
InChIKeyZKYKOWFMYBMTTI-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.65
Rot. Bonds2

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

6-(4-fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine (PubChem CID 592212) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine
PubChem CID592212
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name6-(4-fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine
SMILESCN1NC(c2ccc(F)cc2)ON=C1c1ccccc1
InChIInChI=1S/C15H14FN3O/c1-19-14(11-5-3-2-4-6-11)18-20-15(17-19)12-7-9-13(16)10-8-12/h2-10,15,17H,1H3
InChIKeyZKYKOWFMYBMTTI-UHFFFAOYSA-N
XLogP2.65
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Bromophenyl)-4-methyl-6-(4-methylphenyl)-5,6-dihydro-1,2,4,5-oxatriazine
CID 134920273
3-(4-Fluorophenyl)-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine
CID 174888515
2-(4-fluorophenyl)-4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine
CID 175749845
4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 12954952
N'-[(2-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 52767521
4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide
CID 57454340
N'-[(3-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 60212588
N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 60591057
N'-[(3-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 72684179
N'-[(2-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 75920347
4-(aminomethyl)-N'-[(4-fluorophenyl)methoxy]benzenecarboximidamide
CID 76542449
N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 76870977

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine?
The IUPAC name of 6-(4-fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine (CID 592212) is 6-(4-fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine?
The canonical SMILES for 6-(4-fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine is CN1NC(c2ccc(F)cc2)ON=C1c1ccccc1.
What is the InChIKey of 6-(4-fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine?
The InChIKey is ZKYKOWFMYBMTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-19-14(11-5-3-2-4-6-11)18-20-15(17-19)12-7-9-13(16)10-8-12/h2-10,15,17H,1H3.
What are the key properties of 6-(4-fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine?
6-(4-fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine has a molecular weight of 271.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine is sourced from PubChem (CID 592212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).