6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione

C10H9N3O2 — CID 10488352

IUPAC6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione
SMILESCc1ccc(-c2nc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C10H9N3O2/c1-6-2-4-7(5-3-6)8-11-9(14)13-10(15)12-8/h2-5H,1H3,(H2,11,12,13,14,15)
InChIKeyXWOVGANTNKOACI-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.43
Rot. Bonds1

About 6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione

6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione (PubChem CID 10488352) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione
PubChem CID10488352
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione
SMILESCc1ccc(-c2nc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C10H9N3O2/c1-6-2-4-7(5-3-6)8-11-9(14)13-10(15)12-8/h2-5H,1H3,(H2,11,12,13,14,15)
InChIKeyXWOVGANTNKOACI-UHFFFAOYSA-N
XLogP0.43
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione (CID 10488352) is 6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione is Cc1ccc(-c2nc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione?
The InChIKey is XWOVGANTNKOACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-6-2-4-7(5-3-6)8-11-9(14)13-10(15)12-8/h2-5H,1H3,(H2,11,12,13,14,15).
What are the key properties of 6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione?
6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione has a molecular weight of 203.20 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 10488352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).