sodium 1,3,5-triazinane-2,4,6-trione

C3H3N3NaO3+ — CID 23617829

IUPACsodium 1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na+]
InChIInChI=1S/C3H3N3O3.Na/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);/q;+1
InChIKeyQHFDHWJHIAVELW-UHFFFAOYSA-N
MW152.06 g/mol
LogP-5.24
Rot. Bonds

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

sodium 1,3,5-triazinane-2,4,6-trione (PubChem CID 23617829) has the molecular formula C3H3N3NaO3+ and a molecular weight of 152.06 g/mol. Its IUPAC name is sodium 1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Namesodium 1,3,5-triazinane-2,4,6-trione
PubChem CID23617829
Molecular FormulaC3H3N3NaO3+
Molecular Weight152.06 g/mol
Exact Mass152.01
IUPAC Namesodium 1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na+]
InChIInChI=1S/C3H3N3O3.Na/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);/q;+1
InChIKeyQHFDHWJHIAVELW-UHFFFAOYSA-N
XLogP-5.24
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.06
LogP ≤ 5-5.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 1,3,5-triazinane-2,4,6-trione?
The IUPAC name of sodium 1,3,5-triazinane-2,4,6-trione (CID 23617829) is sodium 1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for sodium 1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for sodium 1,3,5-triazinane-2,4,6-trione is O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na+].
What is the InChIKey of sodium 1,3,5-triazinane-2,4,6-trione?
The InChIKey is QHFDHWJHIAVELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.Na/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);/q;+1.
What are the key properties of sodium 1,3,5-triazinane-2,4,6-trione?
sodium 1,3,5-triazinane-2,4,6-trione has a molecular weight of 152.06 g/mol, XLogP of -5.24, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 23617829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).