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

C18H20N6O — CID 54103643

IUPAC6-(2,6-dimethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one
SMILESCCn1c(-c2c(C)cccc2C)nc(NNc2ccncc2)nc1=O
InChIInChI=1S/C18H20N6O/c1-4-24-16(15-12(2)6-5-7-13(15)3)20-17(21-18(24)25)23-22-14-8-10-19-11-9-14/h5-11H,4H2,1-3H3,(H,19,22)(H,21,23,25)
InChIKeyNCFNOGWGYBXDGS-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.78
Rot. Bonds5

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

6-(2,6-dimethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one (PubChem CID 54103643) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-(2,6-dimethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one
PubChem CID54103643
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name6-(2,6-dimethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one
SMILESCCn1c(-c2c(C)cccc2C)nc(NNc2ccncc2)nc1=O
InChIInChI=1S/C18H20N6O/c1-4-24-16(15-12(2)6-5-7-13(15)3)20-17(21-18(24)25)23-22-14-8-10-19-11-9-14/h5-11H,4H2,1-3H3,(H,19,22)(H,21,23,25)
InChIKeyNCFNOGWGYBXDGS-UHFFFAOYSA-N
XLogP2.78
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.78
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-dimethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one?
The IUPAC name of 6-(2,6-dimethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one (CID 54103643) is 6-(2,6-dimethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(2,6-dimethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one?
The canonical SMILES for 6-(2,6-dimethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one is CCn1c(-c2c(C)cccc2C)nc(NNc2ccncc2)nc1=O.
What is the InChIKey of 6-(2,6-dimethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one?
The InChIKey is NCFNOGWGYBXDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-4-24-16(15-12(2)6-5-7-13(15)3)20-17(21-18(24)25)23-22-14-8-10-19-11-9-14/h5-11H,4H2,1-3H3,(H,19,22)(H,21,23,25).
What are the key properties of 6-(2,6-dimethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one?
6-(2,6-dimethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one has a molecular weight of 336.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylphenyl)-1-ethyl-4-(2-pyridin-4-ylhydrazinyl)-1,3,5-triazin-2-one is sourced from PubChem (CID 54103643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).