1-ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione

C6H9N3O3 — CID 89243856

IUPAC1-ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C6H9N3O3/c1-3-9-5(11)7-4(10)8(2)6(9)12/h3H2,1-2H3,(H,7,10,11)
InChIKeyZQKIBEKNTUGFKG-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.74
Rot. Bonds1

About 1-ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione

1-ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 89243856) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 1-ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione
PubChem CID89243856
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name1-ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C6H9N3O3/c1-3-9-5(11)7-4(10)8(2)6(9)12/h3H2,1-2H3,(H,7,10,11)
InChIKeyZQKIBEKNTUGFKG-UHFFFAOYSA-N
XLogP-1.74
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione (CID 89243856) is 1-ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione is CCn1c(=O)[nH]c(=O)n(C)c1=O.
What is the InChIKey of 1-ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is ZQKIBEKNTUGFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-3-9-5(11)7-4(10)8(2)6(9)12/h3H2,1-2H3,(H,7,10,11).
What are the key properties of 1-ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione?
1-ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 171.16 g/mol, XLogP of -1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 89243856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).