2,4-dimethyl-6,6-diphenyl-1,2,4,5-tetrazinan-3-one

C16H18N4O — CID 134916914

IUPAC2,4-dimethyl-6,6-diphenyl-1,2,4,5-tetrazinan-3-one
SMILESCN1NC(c2ccccc2)(c2ccccc2)NN(C)C1=O
InChIInChI=1S/C16H18N4O/c1-19-15(21)20(2)18-16(17-19,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,17-18H,1-2H3
InChIKeyZBISRAGVOSBGJU-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.89
Rot. Bonds2

About 2,4-dimethyl-6,6-diphenyl-1,2,4,5-tetrazinan-3-one

2,4-dimethyl-6,6-diphenyl-1,2,4,5-tetrazinan-3-one (PubChem CID 134916914) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2,4-dimethyl-6,6-diphenyl-1,2,4,5-tetrazinan-3-one.

Molecular Properties

Compound Name2,4-dimethyl-6,6-diphenyl-1,2,4,5-tetrazinan-3-one
PubChem CID134916914
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2,4-dimethyl-6,6-diphenyl-1,2,4,5-tetrazinan-3-one
SMILESCN1NC(c2ccccc2)(c2ccccc2)NN(C)C1=O
InChIInChI=1S/C16H18N4O/c1-19-15(21)20(2)18-16(17-19,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,17-18H,1-2H3
InChIKeyZBISRAGVOSBGJU-UHFFFAOYSA-N
XLogP1.89
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6,6-diphenyl-1,2,4,5-tetrazinan-3-one?
The IUPAC name of 2,4-dimethyl-6,6-diphenyl-1,2,4,5-tetrazinan-3-one (CID 134916914) is 2,4-dimethyl-6,6-diphenyl-1,2,4,5-tetrazinan-3-one.
What is the SMILES notation for 2,4-dimethyl-6,6-diphenyl-1,2,4,5-tetrazinan-3-one?
The canonical SMILES for 2,4-dimethyl-6,6-diphenyl-1,2,4,5-tetrazinan-3-one is CN1NC(c2ccccc2)(c2ccccc2)NN(C)C1=O.
What is the InChIKey of 2,4-dimethyl-6,6-diphenyl-1,2,4,5-tetrazinan-3-one?
The InChIKey is ZBISRAGVOSBGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-19-15(21)20(2)18-16(17-19,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,17-18H,1-2H3.
What are the key properties of 2,4-dimethyl-6,6-diphenyl-1,2,4,5-tetrazinan-3-one?
2,4-dimethyl-6,6-diphenyl-1,2,4,5-tetrazinan-3-one has a molecular weight of 282.35 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6,6-diphenyl-1,2,4,5-tetrazinan-3-one is sourced from PubChem (CID 134916914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).