azane;copper;1,3,5-triazinane-2,4,6-trione

C3H6CuN4O3 — CID 166636650

IUPACazane;copper;1,3,5-triazinane-2,4,6-trione
SMILESN.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Cu]
InChIInChI=1S/C3H3N3O3.Cu.H3N/c7-1-4-2(8)6-3(9)5-1;;/h(H3,4,5,6,7,8,9);;1H3
InChIKeyIJMSOAJJIHVUMP-UHFFFAOYSA-N
MW209.65 g/mol
LogP-2.09
Rot. Bonds

About azane;copper;1,3,5-triazinane-2,4,6-trione

azane;copper;1,3,5-triazinane-2,4,6-trione (PubChem CID 166636650) has the molecular formula C3H6CuN4O3 and a molecular weight of 209.65 g/mol. Its IUPAC name is azane;copper;1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Nameazane;copper;1,3,5-triazinane-2,4,6-trione
PubChem CID166636650
Molecular FormulaC3H6CuN4O3
Molecular Weight209.65 g/mol
Exact Mass208.97
IUPAC Nameazane;copper;1,3,5-triazinane-2,4,6-trione
SMILESN.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Cu]
InChIInChI=1S/C3H3N3O3.Cu.H3N/c7-1-4-2(8)6-3(9)5-1;;/h(H3,4,5,6,7,8,9);;1H3
InChIKeyIJMSOAJJIHVUMP-UHFFFAOYSA-N
XLogP-2.09
TPSA133.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.65
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;copper;1,3,5-triazinane-2,4,6-trione?
The IUPAC name of azane;copper;1,3,5-triazinane-2,4,6-trione (CID 166636650) is azane;copper;1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for azane;copper;1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for azane;copper;1,3,5-triazinane-2,4,6-trione is N.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Cu].
What is the InChIKey of azane;copper;1,3,5-triazinane-2,4,6-trione?
The InChIKey is IJMSOAJJIHVUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.Cu.H3N/c7-1-4-2(8)6-3(9)5-1;;/h(H3,4,5,6,7,8,9);;1H3.
What are the key properties of azane;copper;1,3,5-triazinane-2,4,6-trione?
azane;copper;1,3,5-triazinane-2,4,6-trione has a molecular weight of 209.65 g/mol, XLogP of -2.09, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;copper;1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 166636650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).