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

C16H17N3O — CID 590370

IUPAC4-methyl-6-(4-methylphenyl)-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine
SMILESCc1ccc(C2NN(C)C(c3ccccc3)=NO2)cc1
InChIInChI=1S/C16H17N3O/c1-12-8-10-14(11-9-12)16-17-19(2)15(18-20-16)13-6-4-3-5-7-13/h3-11,16-17H,1-2H3
InChIKeyIMDANMLWTPTOOX-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.82
Rot. Bonds2

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

4-methyl-6-(4-methylphenyl)-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine (PubChem CID 590370) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-methyl-6-(4-methylphenyl)-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine.

Molecular Properties

Compound Name4-methyl-6-(4-methylphenyl)-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine
PubChem CID590370
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-methyl-6-(4-methylphenyl)-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine
SMILESCc1ccc(C2NN(C)C(c3ccccc3)=NO2)cc1
InChIInChI=1S/C16H17N3O/c1-12-8-10-14(11-9-12)16-17-19(2)15(18-20-16)13-6-4-3-5-7-13/h3-11,16-17H,1-2H3
InChIKeyIMDANMLWTPTOOX-UHFFFAOYSA-N
XLogP2.82
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole
CID 15257620
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
4-Methyl-3,6-diphenyl-5,6-dihydro-4H-[1,2,4,5]oxatriazine
CID 555573
3-(4-Chlorophenyl)-4-methyl-6-phenyl-5,6-dihydro-4H-[1,2,4,5]oxatriazine
CID 584005
3-(4-Bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-4H-[1,2,4,5]oxatriazine
CID 584020
N'-[(4-methylphenyl)methoxy]benzenecarboximidamide
CID 47096549
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 57487780
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 57487781
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 60085107
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 76542437
3,5-Bis(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole;ethane
CID 141874385

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylphenyl)-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine?
The IUPAC name of 4-methyl-6-(4-methylphenyl)-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine (CID 590370) is 4-methyl-6-(4-methylphenyl)-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine.
What is the SMILES notation for 4-methyl-6-(4-methylphenyl)-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine?
The canonical SMILES for 4-methyl-6-(4-methylphenyl)-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine is Cc1ccc(C2NN(C)C(c3ccccc3)=NO2)cc1.
What is the InChIKey of 4-methyl-6-(4-methylphenyl)-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine?
The InChIKey is IMDANMLWTPTOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-8-10-14(11-9-12)16-17-19(2)15(18-20-16)13-6-4-3-5-7-13/h3-11,16-17H,1-2H3.
What are the key properties of 4-methyl-6-(4-methylphenyl)-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine?
4-methyl-6-(4-methylphenyl)-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine has a molecular weight of 267.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylphenyl)-3-phenyl-5,6-dihydro-1,2,4,5-oxatriazine is sourced from PubChem (CID 590370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).