magnesium;1,3-diazinane-2,4,6-trione;hydride

C4H6MgN2O3 — CID 173055319

IUPACmagnesium;1,3-diazinane-2,4,6-trione;hydride
SMILESO=C1CC(=O)NC(=O)N1.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H4N2O3.Mg.2H/c7-2-1-3(8)6-4(9)5-2;;;/h1H2,(H2,5,6,7,8,9);;;/q;+2;2*-1
InChIKeyDHUPWSGBXJIDGG-UHFFFAOYSA-N
MW154.41 g/mol
LogP-1.41
Rot. Bonds

About magnesium;1,3-diazinane-2,4,6-trione;hydride

magnesium;1,3-diazinane-2,4,6-trione;hydride (PubChem CID 173055319) has the molecular formula C4H6MgN2O3 and a molecular weight of 154.41 g/mol. Its IUPAC name is magnesium;1,3-diazinane-2,4,6-trione;hydride.

Molecular Properties

Compound Namemagnesium;1,3-diazinane-2,4,6-trione;hydride
PubChem CID173055319
Molecular FormulaC4H6MgN2O3
Molecular Weight154.41 g/mol
Exact Mass154.02
IUPAC Namemagnesium;1,3-diazinane-2,4,6-trione;hydride
SMILESO=C1CC(=O)NC(=O)N1.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H4N2O3.Mg.2H/c7-2-1-3(8)6-4(9)5-2;;;/h1H2,(H2,5,6,7,8,9);;;/q;+2;2*-1
InChIKeyDHUPWSGBXJIDGG-UHFFFAOYSA-N
XLogP-1.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.41
LogP ≤ 5-1.41
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 magnesium;1,3-diazinane-2,4,6-trione;hydride?
The IUPAC name of magnesium;1,3-diazinane-2,4,6-trione;hydride (CID 173055319) is magnesium;1,3-diazinane-2,4,6-trione;hydride.
What is the SMILES notation for magnesium;1,3-diazinane-2,4,6-trione;hydride?
The canonical SMILES for magnesium;1,3-diazinane-2,4,6-trione;hydride is O=C1CC(=O)NC(=O)N1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;1,3-diazinane-2,4,6-trione;hydride?
The InChIKey is DHUPWSGBXJIDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3.Mg.2H/c7-2-1-3(8)6-4(9)5-2;;;/h1H2,(H2,5,6,7,8,9);;;/q;+2;2*-1.
What are the key properties of magnesium;1,3-diazinane-2,4,6-trione;hydride?
magnesium;1,3-diazinane-2,4,6-trione;hydride has a molecular weight of 154.41 g/mol, XLogP of -1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3-diazinane-2,4,6-trione;hydride is sourced from PubChem (CID 173055319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).