2,4,6-trimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one

C11H16N4O — CID 134989227

IUPAC2,4,6-trimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one
SMILESCN1NC(C)(c2ccccc2)NN(C)C1=O
InChIInChI=1S/C11H16N4O/c1-11(9-7-5-4-6-8-9)12-14(2)10(16)15(3)13-11/h4-8,12-13H,1-3H3
InChIKeySJNNYAUZEPKPLN-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.87
Rot. Bonds1

About 2,4,6-trimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one

2,4,6-trimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one (PubChem CID 134989227) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2,4,6-trimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one.

Molecular Properties

Compound Name2,4,6-trimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one
PubChem CID134989227
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2,4,6-trimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one
SMILESCN1NC(C)(c2ccccc2)NN(C)C1=O
InChIInChI=1S/C11H16N4O/c1-11(9-7-5-4-6-8-9)12-14(2)10(16)15(3)13-11/h4-8,12-13H,1-3H3
InChIKeySJNNYAUZEPKPLN-UHFFFAOYSA-N
XLogP0.87
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one?
The IUPAC name of 2,4,6-trimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one (CID 134989227) is 2,4,6-trimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one.
What is the SMILES notation for 2,4,6-trimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one?
The canonical SMILES for 2,4,6-trimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one is CN1NC(C)(c2ccccc2)NN(C)C1=O.
What is the InChIKey of 2,4,6-trimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one?
The InChIKey is SJNNYAUZEPKPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-11(9-7-5-4-6-8-9)12-14(2)10(16)15(3)13-11/h4-8,12-13H,1-3H3.
What are the key properties of 2,4,6-trimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one?
2,4,6-trimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one has a molecular weight of 220.28 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one is sourced from PubChem (CID 134989227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).