2-(ethylamino)-6,7,8,9-tetramethylpyrido[1,2-a][1,3,5]triazin-4-one

C13H18N4O — CID 23877704

IUPAC2-(ethylamino)-6,7,8,9-tetramethylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCCNc1nc(=O)n2c(C)c(C)c(C)c(C)c2n1
InChIInChI=1S/C13H18N4O/c1-6-14-12-15-11-9(4)7(2)8(3)10(5)17(11)13(18)16-12/h6H2,1-5H3,(H,14,16,18)
InChIKeyQBOHBPZMWFVRHH-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.75
Rot. Bonds2

About 2-(ethylamino)-6,7,8,9-tetramethylpyrido[1,2-a][1,3,5]triazin-4-one

2-(ethylamino)-6,7,8,9-tetramethylpyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 23877704) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(ethylamino)-6,7,8,9-tetramethylpyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-(ethylamino)-6,7,8,9-tetramethylpyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID23877704
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(ethylamino)-6,7,8,9-tetramethylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCCNc1nc(=O)n2c(C)c(C)c(C)c(C)c2n1
InChIInChI=1S/C13H18N4O/c1-6-14-12-15-11-9(4)7(2)8(3)10(5)17(11)13(18)16-12/h6H2,1-5H3,(H,14,16,18)
InChIKeyQBOHBPZMWFVRHH-UHFFFAOYSA-N
XLogP1.75
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6,7,8,9-tetramethylpyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-(ethylamino)-6,7,8,9-tetramethylpyrido[1,2-a][1,3,5]triazin-4-one (CID 23877704) is 2-(ethylamino)-6,7,8,9-tetramethylpyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-(ethylamino)-6,7,8,9-tetramethylpyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-(ethylamino)-6,7,8,9-tetramethylpyrido[1,2-a][1,3,5]triazin-4-one is CCNc1nc(=O)n2c(C)c(C)c(C)c(C)c2n1.
What is the InChIKey of 2-(ethylamino)-6,7,8,9-tetramethylpyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is QBOHBPZMWFVRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-6-14-12-15-11-9(4)7(2)8(3)10(5)17(11)13(18)16-12/h6H2,1-5H3,(H,14,16,18).
What are the key properties of 2-(ethylamino)-6,7,8,9-tetramethylpyrido[1,2-a][1,3,5]triazin-4-one?
2-(ethylamino)-6,7,8,9-tetramethylpyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 246.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6,7,8,9-tetramethylpyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 23877704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).