2,4-dimethyl-6-(2-methylphenyl)-1,2,4,5-tetrazinan-3-one

C11H16N4O — CID 13062863

IUPAC2,4-dimethyl-6-(2-methylphenyl)-1,2,4,5-tetrazinan-3-one
SMILESCc1ccccc1C1NN(C)C(=O)N(C)N1
InChIInChI=1S/C11H16N4O/c1-8-6-4-5-7-9(8)10-12-14(2)11(16)15(3)13-10/h4-7,10,12-13H,1-3H3
InChIKeyFILUIILHDYJRNG-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.00
Rot. Bonds1

About 2,4-dimethyl-6-(2-methylphenyl)-1,2,4,5-tetrazinan-3-one

2,4-dimethyl-6-(2-methylphenyl)-1,2,4,5-tetrazinan-3-one (PubChem CID 13062863) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2,4-dimethyl-6-(2-methylphenyl)-1,2,4,5-tetrazinan-3-one.

Molecular Properties

Compound Name2,4-dimethyl-6-(2-methylphenyl)-1,2,4,5-tetrazinan-3-one
PubChem CID13062863
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2,4-dimethyl-6-(2-methylphenyl)-1,2,4,5-tetrazinan-3-one
SMILESCc1ccccc1C1NN(C)C(=O)N(C)N1
InChIInChI=1S/C11H16N4O/c1-8-6-4-5-7-9(8)10-12-14(2)11(16)15(3)13-10/h4-7,10,12-13H,1-3H3
InChIKeyFILUIILHDYJRNG-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
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-(2-methylphenyl)-1,2,4,5-tetrazinan-3-one?
The IUPAC name of 2,4-dimethyl-6-(2-methylphenyl)-1,2,4,5-tetrazinan-3-one (CID 13062863) is 2,4-dimethyl-6-(2-methylphenyl)-1,2,4,5-tetrazinan-3-one.
What is the SMILES notation for 2,4-dimethyl-6-(2-methylphenyl)-1,2,4,5-tetrazinan-3-one?
The canonical SMILES for 2,4-dimethyl-6-(2-methylphenyl)-1,2,4,5-tetrazinan-3-one is Cc1ccccc1C1NN(C)C(=O)N(C)N1.
What is the InChIKey of 2,4-dimethyl-6-(2-methylphenyl)-1,2,4,5-tetrazinan-3-one?
The InChIKey is FILUIILHDYJRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-6-4-5-7-9(8)10-12-14(2)11(16)15(3)13-10/h4-7,10,12-13H,1-3H3.
What are the key properties of 2,4-dimethyl-6-(2-methylphenyl)-1,2,4,5-tetrazinan-3-one?
2,4-dimethyl-6-(2-methylphenyl)-1,2,4,5-tetrazinan-3-one has a molecular weight of 220.28 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(2-methylphenyl)-1,2,4,5-tetrazinan-3-one is sourced from PubChem (CID 13062863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).