sodium;hydride;5-hydroxy-1,3-diazinane-2,4,6-trione

C4H5N2NaO4 — CID 174909978

IUPACsodium;hydride;5-hydroxy-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(O)C(=O)N1.[H-].[Na+]
InChIInChI=1S/C4H4N2O4.Na.H/c7-1-2(8)5-4(10)6-3(1)9;;/h1,7H,(H2,5,6,8,9,10);;/q;+1;-1
InChIKeyGPLUSIAVVJFUTE-UHFFFAOYSA-N
MW168.08 g/mol
LogP-5.17
Rot. Bonds

About sodium;hydride;5-hydroxy-1,3-diazinane-2,4,6-trione

sodium;hydride;5-hydroxy-1,3-diazinane-2,4,6-trione (PubChem CID 174909978) has the molecular formula C4H5N2NaO4 and a molecular weight of 168.08 g/mol. Its IUPAC name is sodium;hydride;5-hydroxy-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Namesodium;hydride;5-hydroxy-1,3-diazinane-2,4,6-trione
PubChem CID174909978
Molecular FormulaC4H5N2NaO4
Molecular Weight168.08 g/mol
Exact Mass168.01
IUPAC Namesodium;hydride;5-hydroxy-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(O)C(=O)N1.[H-].[Na+]
InChIInChI=1S/C4H4N2O4.Na.H/c7-1-2(8)5-4(10)6-3(1)9;;/h1,7H,(H2,5,6,8,9,10);;/q;+1;-1
InChIKeyGPLUSIAVVJFUTE-UHFFFAOYSA-N
XLogP-5.17
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.08
LogP ≤ 5-5.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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;hydride;5-hydroxy-1,3-diazinane-2,4,6-trione?
The IUPAC name of sodium;hydride;5-hydroxy-1,3-diazinane-2,4,6-trione (CID 174909978) is sodium;hydride;5-hydroxy-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for sodium;hydride;5-hydroxy-1,3-diazinane-2,4,6-trione?
The canonical SMILES for sodium;hydride;5-hydroxy-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(O)C(=O)N1.[H-].[Na+].
What is the InChIKey of sodium;hydride;5-hydroxy-1,3-diazinane-2,4,6-trione?
The InChIKey is GPLUSIAVVJFUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O4.Na.H/c7-1-2(8)5-4(10)6-3(1)9;;/h1,7H,(H2,5,6,8,9,10);;/q;+1;-1.
What are the key properties of sodium;hydride;5-hydroxy-1,3-diazinane-2,4,6-trione?
sodium;hydride;5-hydroxy-1,3-diazinane-2,4,6-trione has a molecular weight of 168.08 g/mol, XLogP of -5.17, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;5-hydroxy-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 174909978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).