1,3-diazinane-2,4,6-trione;dihydrate

C4H8N2O5 — CID 71373932

IUPAC1,3-diazinane-2,4,6-trione;dihydrate
SMILESO.O.O=C1CC(=O)NC(=O)N1
InChIInChI=1S/C4H4N2O3.2H2O/c7-2-1-3(8)6-4(9)5-2;;/h1H2,(H2,5,6,7,8,9);2*1H2
InChIKeyYVLZEVXQPWSUKV-UHFFFAOYSA-N
MW164.12 g/mol
LogP-2.91
Rot. Bonds

About 1,3-diazinane-2,4,6-trione;dihydrate

1,3-diazinane-2,4,6-trione;dihydrate (PubChem CID 71373932) has the molecular formula C4H8N2O5 and a molecular weight of 164.12 g/mol. Its IUPAC name is 1,3-diazinane-2,4,6-trione;dihydrate.

Molecular Properties

Compound Name1,3-diazinane-2,4,6-trione;dihydrate
PubChem CID71373932
Molecular FormulaC4H8N2O5
Molecular Weight164.12 g/mol
Exact Mass164.04
IUPAC Name1,3-diazinane-2,4,6-trione;dihydrate
SMILESO.O.O=C1CC(=O)NC(=O)N1
InChIInChI=1S/C4H4N2O3.2H2O/c7-2-1-3(8)6-4(9)5-2;;/h1H2,(H2,5,6,7,8,9);2*1H2
InChIKeyYVLZEVXQPWSUKV-UHFFFAOYSA-N
XLogP-2.91
TPSA138.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 5-2.91
H-Bond Donors ≤ 52
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-diazinane-2,4,6-trione;dihydrate?
The IUPAC name of 1,3-diazinane-2,4,6-trione;dihydrate (CID 71373932) is 1,3-diazinane-2,4,6-trione;dihydrate.
What is the SMILES notation for 1,3-diazinane-2,4,6-trione;dihydrate?
The canonical SMILES for 1,3-diazinane-2,4,6-trione;dihydrate is O.O.O=C1CC(=O)NC(=O)N1.
What is the InChIKey of 1,3-diazinane-2,4,6-trione;dihydrate?
The InChIKey is YVLZEVXQPWSUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3.2H2O/c7-2-1-3(8)6-4(9)5-2;;/h1H2,(H2,5,6,7,8,9);2*1H2.
What are the key properties of 1,3-diazinane-2,4,6-trione;dihydrate?
1,3-diazinane-2,4,6-trione;dihydrate has a molecular weight of 164.12 g/mol, XLogP of -2.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinane-2,4,6-trione;dihydrate is sourced from PubChem (CID 71373932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).