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

C3H3N3O3Zn+2 — CID 86280834

IUPACzinc 1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Zn+2]
InChIInChI=1S/C3H3N3O3.Zn/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);/q;+2
InChIKeyGDVNODJYFJDZOU-UHFFFAOYSA-N
MW194.47 g/mol
LogP-2.25
Rot. Bonds

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

zinc 1,3,5-triazinane-2,4,6-trione (PubChem CID 86280834) has the molecular formula C3H3N3O3Zn+2 and a molecular weight of 194.47 g/mol. Its IUPAC name is zinc 1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Namezinc 1,3,5-triazinane-2,4,6-trione
PubChem CID86280834
Molecular FormulaC3H3N3O3Zn+2
Molecular Weight194.47 g/mol
Exact Mass192.95
IUPAC Namezinc 1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Zn+2]
InChIInChI=1S/C3H3N3O3.Zn/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);/q;+2
InChIKeyGDVNODJYFJDZOU-UHFFFAOYSA-N
XLogP-2.25
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.47
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc 1,3,5-triazinane-2,4,6-trione?
The IUPAC name of zinc 1,3,5-triazinane-2,4,6-trione (CID 86280834) is zinc 1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for zinc 1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for zinc 1,3,5-triazinane-2,4,6-trione is O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Zn+2].
What is the InChIKey of zinc 1,3,5-triazinane-2,4,6-trione?
The InChIKey is GDVNODJYFJDZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.Zn/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);/q;+2.
What are the key properties of zinc 1,3,5-triazinane-2,4,6-trione?
zinc 1,3,5-triazinane-2,4,6-trione has a molecular weight of 194.47 g/mol, XLogP of -2.25, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 86280834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).