copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine

C5H7CuN6O4 — CID 155143679

IUPACcopper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C([O-])C(=O)O.[Cu+]
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;;+1/p-1
InChIKeyHZGSKJBKPVKGOQ-UHFFFAOYSA-M
MW278.69 g/mol
LogP-3.56
Rot. Bonds

About copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine

copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine (PubChem CID 155143679) has the molecular formula C5H7CuN6O4 and a molecular weight of 278.69 g/mol. Its IUPAC name is copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namecopper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine
PubChem CID155143679
Molecular FormulaC5H7CuN6O4
Molecular Weight278.69 g/mol
Exact Mass277.98
IUPAC Namecopper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C([O-])C(=O)O.[Cu+]
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;;+1/p-1
InChIKeyHZGSKJBKPVKGOQ-UHFFFAOYSA-M
XLogP-3.56
TPSA194.16 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 5-3.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5-Triazine-2,4,6-triamine, ethanedioate (1:1)
CID 13685622
Melaminium(2+) di(hydrogen oxalate)
CID 139067331
1,3,5-Triazine-2,4,6-triamine monooxalate
CID 155001
Oxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine
CID 70518908
Dihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine
CID 88823188
Copper;oxalate;1,3,5-triazine-2,4,6-triamine
CID 155143678
Oxalic acid;1,3,5-triazine-2,4,6-triamine;dihydrate
CID 155619027
2-Hydroxyacetic acid;1,3,5-triazine-2,4,6-triamine
CID 159375275
Azane;carbon dioxide;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea
CID 160357481
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

Frequently Asked Questions

What is the IUPAC name of copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine (CID 155143679) is copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=C([O-])C(=O)O.[Cu+].
What is the InChIKey of copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine?
The InChIKey is HZGSKJBKPVKGOQ-UHFFFAOYSA-M. 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;;+1/p-1.
What are the key properties of copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine?
copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine has a molecular weight of 278.69 g/mol, XLogP of -3.56, 0 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 155143679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).