copper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone

C6H4CuN3O6-3 — CID 175067781

IUPACcopper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone
SMILESO=[C-]O.O=[C-]O.O=[C-]Oc1ncncn1.[Cu]
InChIInChI=1S/C4H2N3O2.2CHO2.Cu/c8-3-9-4-6-1-5-2-7-4;2*2-1-3;/h1-2H;2*(H,2,3);/q3*-1;
InChIKeyBCZBBUHQNQKEEF-UHFFFAOYSA-N
MW277.66 g/mol
LogP-1.46
Rot. Bonds2

About copper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone

copper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone (PubChem CID 175067781) has the molecular formula C6H4CuN3O6-3 and a molecular weight of 277.66 g/mol. Its IUPAC name is copper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone.

Molecular Properties

Compound Namecopper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone
PubChem CID175067781
Molecular FormulaC6H4CuN3O6-3
Molecular Weight277.66 g/mol
Exact Mass276.94
IUPAC Namecopper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone
SMILESO=[C-]O.O=[C-]O.O=[C-]Oc1ncncn1.[Cu]
InChIInChI=1S/C4H2N3O2.2CHO2.Cu/c8-3-9-4-6-1-5-2-7-4;2*2-1-3;/h1-2H;2*(H,2,3);/q3*-1;
InChIKeyBCZBBUHQNQKEEF-UHFFFAOYSA-N
XLogP-1.46
TPSA139.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.66
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze copper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of copper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone?
The IUPAC name of copper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone (CID 175067781) is copper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone.
What is the SMILES notation for copper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone?
The canonical SMILES for copper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone is O=[C-]O.O=[C-]O.O=[C-]Oc1ncncn1.[Cu].
What is the InChIKey of copper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone?
The InChIKey is BCZBBUHQNQKEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N3O2.2CHO2.Cu/c8-3-9-4-6-1-5-2-7-4;2*2-1-3;/h1-2H;2*(H,2,3);/q3*-1;.
What are the key properties of copper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone?
copper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone has a molecular weight of 277.66 g/mol, XLogP of -1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone is sourced from PubChem (CID 175067781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).