copper;azane;bis(1,3-diaza-5-azanidacyclohexane-2,4,6-trione)

C6H10CuN8O6 — CID 139120749

IUPACcopper;azane;bis(1,3-diaza-5-azanidacyclohexane-2,4,6-trione)
SMILESN.N.O=c1[n-]c(=O)[nH]c(=O)[nH]1.O=c1[n-]c(=O)[nH]c(=O)[nH]1.[Cu+2]
InChIInChI=1S/2C3H3N3O3.Cu.2H3N/c2*7-1-4-2(8)6-3(9)5-1;;;/h2*(H3,4,5,6,7,8,9);;2*1H3/q;;+2;;/p-2
InChIKeyDYUBQMADFGHKMH-UHFFFAOYSA-L
MW353.74 g/mol
LogP-4.92
Rot. Bonds

About copper;azane;bis(1,3-diaza-5-azanidacyclohexane-2,4,6-trione)

copper;azane;bis(1,3-diaza-5-azanidacyclohexane-2,4,6-trione) (PubChem CID 139120749) has the molecular formula C6H10CuN8O6 and a molecular weight of 353.74 g/mol. Its IUPAC name is copper;azane;bis(1,3-diaza-5-azanidacyclohexane-2,4,6-trione).

Molecular Properties

Compound Namecopper;azane;bis(1,3-diaza-5-azanidacyclohexane-2,4,6-trione)
PubChem CID139120749
Molecular FormulaC6H10CuN8O6
Molecular Weight353.74 g/mol
Exact Mass353.00
IUPAC Namecopper;azane;bis(1,3-diaza-5-azanidacyclohexane-2,4,6-trione)
SMILESN.N.O=c1[n-]c(=O)[nH]c(=O)[nH]1.O=c1[n-]c(=O)[nH]c(=O)[nH]1.[Cu+2]
InChIInChI=1S/2C3H3N3O3.Cu.2H3N/c2*7-1-4-2(8)6-3(9)5-1;;;/h2*(H3,4,5,6,7,8,9);;2*1H3/q;;+2;;/p-2
InChIKeyDYUBQMADFGHKMH-UHFFFAOYSA-L
XLogP-4.92
TPSA263.78 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.74
LogP ≤ 5-4.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of copper;azane;bis(1,3-diaza-5-azanidacyclohexane-2,4,6-trione)?
The IUPAC name of copper;azane;bis(1,3-diaza-5-azanidacyclohexane-2,4,6-trione) (CID 139120749) is copper;azane;bis(1,3-diaza-5-azanidacyclohexane-2,4,6-trione).
What is the SMILES notation for copper;azane;bis(1,3-diaza-5-azanidacyclohexane-2,4,6-trione)?
The canonical SMILES for copper;azane;bis(1,3-diaza-5-azanidacyclohexane-2,4,6-trione) is N.N.O=c1[n-]c(=O)[nH]c(=O)[nH]1.O=c1[n-]c(=O)[nH]c(=O)[nH]1.[Cu+2].
What is the InChIKey of copper;azane;bis(1,3-diaza-5-azanidacyclohexane-2,4,6-trione)?
The InChIKey is DYUBQMADFGHKMH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H3N3O3.Cu.2H3N/c2*7-1-4-2(8)6-3(9)5-1;;;/h2*(H3,4,5,6,7,8,9);;2*1H3/q;;+2;;/p-2.
What are the key properties of copper;azane;bis(1,3-diaza-5-azanidacyclohexane-2,4,6-trione)?
copper;azane;bis(1,3-diaza-5-azanidacyclohexane-2,4,6-trione) has a molecular weight of 353.74 g/mol, XLogP of -4.92, 0 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;azane;bis(1,3-diaza-5-azanidacyclohexane-2,4,6-trione) is sourced from PubChem (CID 139120749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).