1-butyl-5-ethyl-1,3-diazinane-2,4,6-trione

C10H16N2O3 — CID 137378153

IUPAC1-butyl-5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCCCN1C(=O)NC(=O)C(CC)C1=O
InChIInChI=1S/C10H16N2O3/c1-3-5-6-12-9(14)7(4-2)8(13)11-10(12)15/h7H,3-6H2,1-2H3,(H,11,13,15)
InChIKeyKBDJAXCAYOYQQM-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.89
Rot. Bonds4

About 1-butyl-5-ethyl-1,3-diazinane-2,4,6-trione

1-butyl-5-ethyl-1,3-diazinane-2,4,6-trione (PubChem CID 137378153) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-butyl-5-ethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-butyl-5-ethyl-1,3-diazinane-2,4,6-trione
PubChem CID137378153
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-butyl-5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCCCN1C(=O)NC(=O)C(CC)C1=O
InChIInChI=1S/C10H16N2O3/c1-3-5-6-12-9(14)7(4-2)8(13)11-10(12)15/h7H,3-6H2,1-2H3,(H,11,13,15)
InChIKeyKBDJAXCAYOYQQM-UHFFFAOYSA-N
XLogP0.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-butyl-5-ethyl-1,3-diazinane-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-butyl-5-ethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-butyl-5-ethyl-1,3-diazinane-2,4,6-trione (CID 137378153) is 1-butyl-5-ethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-butyl-5-ethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-butyl-5-ethyl-1,3-diazinane-2,4,6-trione is CCCCN1C(=O)NC(=O)C(CC)C1=O.
What is the InChIKey of 1-butyl-5-ethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is KBDJAXCAYOYQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-5-6-12-9(14)7(4-2)8(13)11-10(12)15/h7H,3-6H2,1-2H3,(H,11,13,15).
What are the key properties of 1-butyl-5-ethyl-1,3-diazinane-2,4,6-trione?
1-butyl-5-ethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 212.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-ethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 137378153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).