6-(2,6-diethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one

C20H24N6O — CID 54079066

IUPAC6-(2,6-diethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one
SMILESCCc1cccc(CC)c1-c1nc(NNc2ccncc2)nc(=O)n1CC
InChIInChI=1S/C20H24N6O/c1-4-14-8-7-9-15(5-2)17(14)18-22-19(23-20(27)26(18)6-3)25-24-16-10-12-21-13-11-16/h7-13H,4-6H2,1-3H3,(H,21,24)(H,23,25,27)
InChIKeyMLTXHTCEHNCWSL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.28
Rot. Bonds7

About 6-(2,6-diethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one

6-(2,6-diethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one (PubChem CID 54079066) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-(2,6-diethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(2,6-diethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one
PubChem CID54079066
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name6-(2,6-diethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one
SMILESCCc1cccc(CC)c1-c1nc(NNc2ccncc2)nc(=O)n1CC
InChIInChI=1S/C20H24N6O/c1-4-14-8-7-9-15(5-2)17(14)18-22-19(23-20(27)26(18)6-3)25-24-16-10-12-21-13-11-16/h7-13H,4-6H2,1-3H3,(H,21,24)(H,23,25,27)
InChIKeyMLTXHTCEHNCWSL-UHFFFAOYSA-N
XLogP3.28
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one?
The IUPAC name of 6-(2,6-diethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one (CID 54079066) is 6-(2,6-diethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(2,6-diethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one?
The canonical SMILES for 6-(2,6-diethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one is CCc1cccc(CC)c1-c1nc(NNc2ccncc2)nc(=O)n1CC.
What is the InChIKey of 6-(2,6-diethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one?
The InChIKey is MLTXHTCEHNCWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-4-14-8-7-9-15(5-2)17(14)18-22-19(23-20(27)26(18)6-3)25-24-16-10-12-21-13-11-16/h7-13H,4-6H2,1-3H3,(H,21,24)(H,23,25,27).
What are the key properties of 6-(2,6-diethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one?
6-(2,6-diethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one is sourced from PubChem (CID 54079066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).