sodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate

C3H8N3NaO5 — CID 174706584

IUPACsodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate
SMILESO.O.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[H-].[Na+]
InChIInChI=1S/C3H3N3O3.Na.2H2O.H/c7-1-4-2(8)6-3(9)5-1;;;;/h(H3,4,5,6,7,8,9);;2*1H2;/q;+1;;;-1
InChIKeyZVQPCAZHUHDMKI-UHFFFAOYSA-N
MW189.10 g/mol
LogP-6.78
Rot. Bonds

About sodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate

sodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate (PubChem CID 174706584) has the molecular formula C3H8N3NaO5 and a molecular weight of 189.10 g/mol. Its IUPAC name is sodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate.

Molecular Properties

Compound Namesodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate
PubChem CID174706584
Molecular FormulaC3H8N3NaO5
Molecular Weight189.10 g/mol
Exact Mass189.04
IUPAC Namesodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate
SMILESO.O.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[H-].[Na+]
InChIInChI=1S/C3H3N3O3.Na.2H2O.H/c7-1-4-2(8)6-3(9)5-1;;;;/h(H3,4,5,6,7,8,9);;2*1H2;/q;+1;;;-1
InChIKeyZVQPCAZHUHDMKI-UHFFFAOYSA-N
XLogP-6.78
TPSA161.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 5-6.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate?
The IUPAC name of sodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate (CID 174706584) is sodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate.
What is the SMILES notation for sodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate?
The canonical SMILES for sodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate is O.O.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[H-].[Na+].
What is the InChIKey of sodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate?
The InChIKey is ZVQPCAZHUHDMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.Na.2H2O.H/c7-1-4-2(8)6-3(9)5-1;;;;/h(H3,4,5,6,7,8,9);;2*1H2;/q;+1;;;-1.
What are the key properties of sodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate?
sodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate has a molecular weight of 189.10 g/mol, XLogP of -6.78, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate is sourced from PubChem (CID 174706584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).