2-[ethyl(methyl)amino]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one

C11H14N4O — CID 23760865

IUPAC2-[ethyl(methyl)amino]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCCN(C)c1nc(=O)n2ccc(C)cc2n1
InChIInChI=1S/C11H14N4O/c1-4-14(3)10-12-9-7-8(2)5-6-15(9)11(16)13-10/h5-7H,4H2,1-3H3
InChIKeyFBKCYJFVJJQGAN-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.85
Rot. Bonds2

About 2-[ethyl(methyl)amino]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one

2-[ethyl(methyl)amino]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 23760865) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID23760865
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[ethyl(methyl)amino]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCCN(C)c1nc(=O)n2ccc(C)cc2n1
InChIInChI=1S/C11H14N4O/c1-4-14(3)10-12-9-7-8(2)5-6-15(9)11(16)13-10/h5-7H,4H2,1-3H3
InChIKeyFBKCYJFVJJQGAN-UHFFFAOYSA-N
XLogP0.85
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-[ethyl(methyl)amino]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one (CID 23760865) is 2-[ethyl(methyl)amino]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-[ethyl(methyl)amino]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-[ethyl(methyl)amino]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one is CCN(C)c1nc(=O)n2ccc(C)cc2n1.
What is the InChIKey of 2-[ethyl(methyl)amino]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is FBKCYJFVJJQGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-4-14(3)10-12-9-7-8(2)5-6-15(9)11(16)13-10/h5-7H,4H2,1-3H3.
What are the key properties of 2-[ethyl(methyl)amino]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one?
2-[ethyl(methyl)amino]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 218.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 23760865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).