1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione

C12H20N2O3 — CID 3026975

IUPAC1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)N(CC)C(=O)C(CC)(CC)C1=O
InChIInChI=1S/C12H20N2O3/c1-5-12(6-2)9(15)13(7-3)11(17)14(8-4)10(12)16/h5-8H2,1-4H3
InChIKeyKNVYHMMSTFJBMT-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.62
Rot. Bonds4

About 1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione

1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione (PubChem CID 3026975) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione
PubChem CID3026975
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)N(CC)C(=O)C(CC)(CC)C1=O
InChIInChI=1S/C12H20N2O3/c1-5-12(6-2)9(15)13(7-3)11(17)14(8-4)10(12)16/h5-8H2,1-4H3
InChIKeyKNVYHMMSTFJBMT-UHFFFAOYSA-N
XLogP1.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione (CID 3026975) is 1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione is CCN1C(=O)N(CC)C(=O)C(CC)(CC)C1=O.
What is the InChIKey of 1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is KNVYHMMSTFJBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-12(6-2)9(15)13(7-3)11(17)14(8-4)10(12)16/h5-8H2,1-4H3.
What are the key properties of 1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione?
1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 240.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3026975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).