copper;oxalate;1,3,5-triazine-2,4,6-triamine

C5H6CuN6O4 — CID 155143678

IUPACcopper;oxalate;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C([O-])C(=O)[O-].[Cu+2]
InChIInChI=1S/C3H6N6.C2H2O4.Cu/c4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6;/h(H6,4,5,6,7,8,9);(H,3,4)(H,5,6);/q;;+2/p-2
InChIKeyYBFURXIHEAHTKI-UHFFFAOYSA-L
MW277.69 g/mol
LogP-4.90
Rot. Bonds

About copper;oxalate;1,3,5-triazine-2,4,6-triamine

copper;oxalate;1,3,5-triazine-2,4,6-triamine (PubChem CID 155143678) has the molecular formula C5H6CuN6O4 and a molecular weight of 277.69 g/mol. Its IUPAC name is copper;oxalate;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namecopper;oxalate;1,3,5-triazine-2,4,6-triamine
PubChem CID155143678
Molecular FormulaC5H6CuN6O4
Molecular Weight277.69 g/mol
Exact Mass276.97
IUPAC Namecopper;oxalate;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C([O-])C(=O)[O-].[Cu+2]
InChIInChI=1S/C3H6N6.C2H2O4.Cu/c4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6;/h(H6,4,5,6,7,8,9);(H,3,4)(H,5,6);/q;;+2/p-2
InChIKeyYBFURXIHEAHTKI-UHFFFAOYSA-L
XLogP-4.90
TPSA196.99 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.69
LogP ≤ 5-4.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazine-2,4,6-triamine, ethanedioate (1:1)
CID 13685622
1,3,5-Triazine-2,4,6-triamine monooxalate
CID 155001
Dihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine
CID 88823188
Copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine
CID 155143679
Oxalic acid;1,3,5-triazine-2,4,6-triamine;dihydrate
CID 155619027
Disodium;oxalate;1,3,5-triazine-2,4,6-triamine
CID 162268396
Copper;oxalate;1,3,5-triazine-2,4,6-triamine;dihydrate
CID 173887748
Copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine;dihydrate
CID 173887749
Cobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine
CID 174973471

Frequently Asked Questions

What is the IUPAC name of copper;oxalate;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of copper;oxalate;1,3,5-triazine-2,4,6-triamine (CID 155143678) is copper;oxalate;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for copper;oxalate;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for copper;oxalate;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=C([O-])C(=O)[O-].[Cu+2].
What is the InChIKey of copper;oxalate;1,3,5-triazine-2,4,6-triamine?
The InChIKey is YBFURXIHEAHTKI-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H6N6.C2H2O4.Cu/c4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6;/h(H6,4,5,6,7,8,9);(H,3,4)(H,5,6);/q;;+2/p-2.
What are the key properties of copper;oxalate;1,3,5-triazine-2,4,6-triamine?
copper;oxalate;1,3,5-triazine-2,4,6-triamine has a molecular weight of 277.69 g/mol, XLogP of -4.90, 0 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;oxalate;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 155143678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).