1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione

C11H11N3O3 — CID 15555687

IUPAC1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(C)c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C11H11N3O3/c1-12-9(15)13(2)11(17)14(10(12)16)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyHNZFJLVXQUZOQB-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.77
Rot. Bonds1

About 1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione

1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 15555687) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione
PubChem CID15555687
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(C)c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C11H11N3O3/c1-12-9(15)13(2)11(17)14(10(12)16)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyHNZFJLVXQUZOQB-UHFFFAOYSA-N
XLogP-0.77
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione (CID 15555687) is 1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione is Cn1c(=O)n(C)c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of 1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is HNZFJLVXQUZOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-12-9(15)13(2)11(17)14(10(12)16)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione?
1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 233.23 g/mol, XLogP of -0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 15555687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).