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

C10H12BrN3O — CID 551556

IUPAC3-(4-bromophenyl)-4,6-dimethyl-5,6-dihydro-1,2,4,5-oxatriazine
SMILESCC1NN(C)C(c2ccc(Br)cc2)=NO1
InChIInChI=1S/C10H12BrN3O/c1-7-12-14(2)10(13-15-7)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3
InChIKeyVOJJZASPRRFVHW-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.92
Rot. Bonds1

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

3-(4-bromophenyl)-4,6-dimethyl-5,6-dihydro-1,2,4,5-oxatriazine (PubChem CID 551556) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4,6-dimethyl-5,6-dihydro-1,2,4,5-oxatriazine.

Molecular Properties

Compound Name3-(4-bromophenyl)-4,6-dimethyl-5,6-dihydro-1,2,4,5-oxatriazine
PubChem CID551556
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name3-(4-bromophenyl)-4,6-dimethyl-5,6-dihydro-1,2,4,5-oxatriazine
SMILESCC1NN(C)C(c2ccc(Br)cc2)=NO1
InChIInChI=1S/C10H12BrN3O/c1-7-12-14(2)10(13-15-7)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3
InChIKeyVOJJZASPRRFVHW-UHFFFAOYSA-N
XLogP1.92
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Bromophenyl)-4-methyl-6-phenyl-5,6-dihydro-4H-[1,2,4,5]oxatriazine
CID 584020
3-(4-Bromophenyl)-6-isopropyl-4-methyl-5,6-dihydro-4H-[1,2,4,5]oxatriazine
CID 620339
4-bromo-N'-ethoxybenzenecarboximidamide
CID 21037685
N-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride
CID 68638952
N-amino-4-bromo-N-methylbenzenecarboximidamide
CID 68638953
4-bromo-N'-propoxybenzenecarboximidamide
CID 131881489
4-bromo-N-methoxy-N-methyl-N'-(methylideneamino)benzenecarboximidamide
CID 155373694
N-amino-4-bromo-N-(2-hydroxyethyl)benzenecarboximidamide;hydrochloride
CID 160744107
N,N'-diamino-4-bromo-N-methylbenzenecarboximidamide
CID 167390654
4-bromo-N'-propoxybenzenecarboximidamide
CID 11172904
N-amino-4-bromo-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62544635
4-Bromo-N'-ethoxybenzene-1-carboximidamide
CID 71440812

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4,6-dimethyl-5,6-dihydro-1,2,4,5-oxatriazine?
The IUPAC name of 3-(4-bromophenyl)-4,6-dimethyl-5,6-dihydro-1,2,4,5-oxatriazine (CID 551556) is 3-(4-bromophenyl)-4,6-dimethyl-5,6-dihydro-1,2,4,5-oxatriazine.
What is the SMILES notation for 3-(4-bromophenyl)-4,6-dimethyl-5,6-dihydro-1,2,4,5-oxatriazine?
The canonical SMILES for 3-(4-bromophenyl)-4,6-dimethyl-5,6-dihydro-1,2,4,5-oxatriazine is CC1NN(C)C(c2ccc(Br)cc2)=NO1.
What is the InChIKey of 3-(4-bromophenyl)-4,6-dimethyl-5,6-dihydro-1,2,4,5-oxatriazine?
The InChIKey is VOJJZASPRRFVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-7-12-14(2)10(13-15-7)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3.
What are the key properties of 3-(4-bromophenyl)-4,6-dimethyl-5,6-dihydro-1,2,4,5-oxatriazine?
3-(4-bromophenyl)-4,6-dimethyl-5,6-dihydro-1,2,4,5-oxatriazine has a molecular weight of 270.13 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4,6-dimethyl-5,6-dihydro-1,2,4,5-oxatriazine is sourced from PubChem (CID 551556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).