sodium;1,3-diazinane-2,4,6-trione;hydride;methanamine

C7H20N5NaO3 — CID 174594549

IUPACsodium;1,3-diazinane-2,4,6-trione;hydride;methanamine
SMILESCN.CN.CN.O=C1CC(=O)NC(=O)N1.[H-].[Na+]
InChIInChI=1S/C4H4N2O3.3CH5N.Na.H/c7-2-1-3(8)6-4(9)5-2;3*1-2;;/h1H2,(H2,5,6,7,8,9);3*2H2,1H3;;/q;;;;+1;-1
InChIKeyOOJRZIVZNOVXGT-UHFFFAOYSA-N
MW245.26 g/mol
LogP-5.42
Rot. Bonds

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

sodium;1,3-diazinane-2,4,6-trione;hydride;methanamine (PubChem CID 174594549) has the molecular formula C7H20N5NaO3 and a molecular weight of 245.26 g/mol. Its IUPAC name is sodium;1,3-diazinane-2,4,6-trione;hydride;methanamine.

Molecular Properties

Compound Namesodium;1,3-diazinane-2,4,6-trione;hydride;methanamine
PubChem CID174594549
Molecular FormulaC7H20N5NaO3
Molecular Weight245.26 g/mol
Exact Mass245.15
IUPAC Namesodium;1,3-diazinane-2,4,6-trione;hydride;methanamine
SMILESCN.CN.CN.O=C1CC(=O)NC(=O)N1.[H-].[Na+]
InChIInChI=1S/C4H4N2O3.3CH5N.Na.H/c7-2-1-3(8)6-4(9)5-2;3*1-2;;/h1H2,(H2,5,6,7,8,9);3*2H2,1H3;;/q;;;;+1;-1
InChIKeyOOJRZIVZNOVXGT-UHFFFAOYSA-N
XLogP-5.42
TPSA153.33 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-5.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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 sodium;1,3-diazinane-2,4,6-trione;hydride;methanamine?
The IUPAC name of sodium;1,3-diazinane-2,4,6-trione;hydride;methanamine (CID 174594549) is sodium;1,3-diazinane-2,4,6-trione;hydride;methanamine.
What is the SMILES notation for sodium;1,3-diazinane-2,4,6-trione;hydride;methanamine?
The canonical SMILES for sodium;1,3-diazinane-2,4,6-trione;hydride;methanamine is CN.CN.CN.O=C1CC(=O)NC(=O)N1.[H-].[Na+].
What is the InChIKey of sodium;1,3-diazinane-2,4,6-trione;hydride;methanamine?
The InChIKey is OOJRZIVZNOVXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3.3CH5N.Na.H/c7-2-1-3(8)6-4(9)5-2;3*1-2;;/h1H2,(H2,5,6,7,8,9);3*2H2,1H3;;/q;;;;+1;-1.
What are the key properties of sodium;1,3-diazinane-2,4,6-trione;hydride;methanamine?
sodium;1,3-diazinane-2,4,6-trione;hydride;methanamine has a molecular weight of 245.26 g/mol, XLogP of -5.42, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,3-diazinane-2,4,6-trione;hydride;methanamine is sourced from PubChem (CID 174594549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).