4-methyl-3,6-diphenyl-5,6-dihydro-1,2,4,5-oxatriazine

C15H15N3O — CID 555573

IUPAC4-methyl-3,6-diphenyl-5,6-dihydro-1,2,4,5-oxatriazine
SMILESCN1NC(c2ccccc2)ON=C1c1ccccc1
InChIInChI=1S/C15H15N3O/c1-18-14(12-8-4-2-5-9-12)17-19-15(16-18)13-10-6-3-7-11-13/h2-11,15-16H,1H3
InChIKeyXVJWHMIQYXVIPW-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.51
Rot. Bonds2

About 4-methyl-3,6-diphenyl-5,6-dihydro-1,2,4,5-oxatriazine

4-methyl-3,6-diphenyl-5,6-dihydro-1,2,4,5-oxatriazine (PubChem CID 555573) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-methyl-3,6-diphenyl-5,6-dihydro-1,2,4,5-oxatriazine.

Molecular Properties

Compound Name4-methyl-3,6-diphenyl-5,6-dihydro-1,2,4,5-oxatriazine
PubChem CID555573
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-methyl-3,6-diphenyl-5,6-dihydro-1,2,4,5-oxatriazine
SMILESCN1NC(c2ccccc2)ON=C1c1ccccc1
InChIInChI=1S/C15H15N3O/c1-18-14(12-8-4-2-5-9-12)17-19-15(16-18)13-10-6-3-7-11-13/h2-11,15-16H,1H3
InChIKeyXVJWHMIQYXVIPW-UHFFFAOYSA-N
XLogP2.51
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.51
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
4-Methyl-3-phenyl-1-oxa-2,4,5-triazaspiro[5.5]undec-2-ene
CID 362351
6-(4-Fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-4H-[1,2,4,5]oxatriazine
CID 592212
N'-phenylmethoxybenzenecarboximidamide
CID 2754980
N'-phenylmethoxybenzenecarboximidamide
CID 5706228
N'-phenylmethoxybenzenecarboximidamide
CID 9581526
4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 12954952
(Z)-[(E)-[dimethylamino(phenyl)methylidene]amino]-oxido-phenylmethoxyiminoazanium
CID 139184696
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
4-Methyl-3-phenyl-6-p-tolyl-5,6-dihydro-4H-[1,2,4,5]oxatriazine
CID 590370
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 57487781

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,6-diphenyl-5,6-dihydro-1,2,4,5-oxatriazine?
The IUPAC name of 4-methyl-3,6-diphenyl-5,6-dihydro-1,2,4,5-oxatriazine (CID 555573) is 4-methyl-3,6-diphenyl-5,6-dihydro-1,2,4,5-oxatriazine.
What is the SMILES notation for 4-methyl-3,6-diphenyl-5,6-dihydro-1,2,4,5-oxatriazine?
The canonical SMILES for 4-methyl-3,6-diphenyl-5,6-dihydro-1,2,4,5-oxatriazine is CN1NC(c2ccccc2)ON=C1c1ccccc1.
What is the InChIKey of 4-methyl-3,6-diphenyl-5,6-dihydro-1,2,4,5-oxatriazine?
The InChIKey is XVJWHMIQYXVIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18-14(12-8-4-2-5-9-12)17-19-15(16-18)13-10-6-3-7-11-13/h2-11,15-16H,1H3.
What are the key properties of 4-methyl-3,6-diphenyl-5,6-dihydro-1,2,4,5-oxatriazine?
4-methyl-3,6-diphenyl-5,6-dihydro-1,2,4,5-oxatriazine has a molecular weight of 253.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,6-diphenyl-5,6-dihydro-1,2,4,5-oxatriazine is sourced from PubChem (CID 555573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).