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

C20H24N6O — CID 54172016

IUPAC1-(2,3-diethylphenyl)-6-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one
SMILESCCc1cccc(-n2c(CC)nc(NNc3ccncc3)nc2=O)c1CC
InChIInChI=1S/C20H24N6O/c1-4-14-8-7-9-17(16(14)5-2)26-18(6-3)22-19(23-20(26)27)25-24-15-10-12-21-13-11-15/h7-13H,4-6H2,1-3H3,(H,21,24)(H,23,25,27)
InChIKeyOVRHQVBSIRZWGX-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.15
Rot. Bonds7

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

1-(2,3-diethylphenyl)-6-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one (PubChem CID 54172016) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(2,3-diethylphenyl)-6-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name1-(2,3-diethylphenyl)-6-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one
PubChem CID54172016
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-(2,3-diethylphenyl)-6-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one
SMILESCCc1cccc(-n2c(CC)nc(NNc3ccncc3)nc2=O)c1CC
InChIInChI=1S/C20H24N6O/c1-4-14-8-7-9-17(16(14)5-2)26-18(6-3)22-19(23-20(26)27)25-24-15-10-12-21-13-11-15/h7-13H,4-6H2,1-3H3,(H,21,24)(H,23,25,27)
InChIKeyOVRHQVBSIRZWGX-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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 1-(2,3-diethylphenyl)-6-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one?
The IUPAC name of 1-(2,3-diethylphenyl)-6-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one (CID 54172016) is 1-(2,3-diethylphenyl)-6-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one.
What is the SMILES notation for 1-(2,3-diethylphenyl)-6-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one?
The canonical SMILES for 1-(2,3-diethylphenyl)-6-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one is CCc1cccc(-n2c(CC)nc(NNc3ccncc3)nc2=O)c1CC.
What is the InChIKey of 1-(2,3-diethylphenyl)-6-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one?
The InChIKey is OVRHQVBSIRZWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-4-14-8-7-9-17(16(14)5-2)26-18(6-3)22-19(23-20(26)27)25-24-15-10-12-21-13-11-15/h7-13H,4-6H2,1-3H3,(H,21,24)(H,23,25,27).
What are the key properties of 1-(2,3-diethylphenyl)-6-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one?
1-(2,3-diethylphenyl)-6-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diethylphenyl)-6-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one is sourced from PubChem (CID 54172016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).