copper;bis(1,3-diaminourea)

C2H12CuN8O2 — CID 87072339

IUPACcopper;bis(1,3-diaminourea)
SMILESNNC(=O)NN.NNC(=O)NN.[Cu]
InChIInChI=1S/2CH6N4O.Cu/c2*2-4-1(6)5-3;/h2*2-3H2,(H2,4,5,6);
InChIKeyPCHRBVBLYUSJIQ-UHFFFAOYSA-N
MW243.72 g/mol
LogP-3.94
Rot. Bonds

About copper;bis(1,3-diaminourea)

copper;bis(1,3-diaminourea) (PubChem CID 87072339) has the molecular formula C2H12CuN8O2 and a molecular weight of 243.72 g/mol. Its IUPAC name is copper;bis(1,3-diaminourea).

Molecular Properties

Compound Namecopper;bis(1,3-diaminourea)
PubChem CID87072339
Molecular FormulaC2H12CuN8O2
Molecular Weight243.72 g/mol
Exact Mass243.04
IUPAC Namecopper;bis(1,3-diaminourea)
SMILESNNC(=O)NN.NNC(=O)NN.[Cu]
InChIInChI=1S/2CH6N4O.Cu/c2*2-4-1(6)5-3;/h2*2-3H2,(H2,4,5,6);
InChIKeyPCHRBVBLYUSJIQ-UHFFFAOYSA-N
XLogP-3.94
TPSA186.34 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.72
LogP ≤ 5-3.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze copper;bis(1,3-diaminourea) 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-diaminourea;methane
CID 159116698
magnesium 1,3-diaminourea
CID 22123853
CID 172800195
CID 172800195
1,3-diaminourea;phosphane
CID 159962214
cycloheptane;1,3-diaminourea
CID 18624283
1,3-diaminourea;oxalic acid
CID 174832564
1,3-diaminourea;nitric acid;zinc
CID 175035338
benzene-1,4-diol;1,3-diaminourea
CID 19387491
1,3-diaminourea;2H-triazole
CID 161045839
1,3-diaminourea;piperidine
CID 159999921
1,3-diaminourea;2-(2-hydroxyethoxy)ethanol
CID 159824240
1-amino-3-(iodoamino)urea
CID 151741118

Frequently Asked Questions

What is the IUPAC name of copper;bis(1,3-diaminourea)?
The IUPAC name of copper;bis(1,3-diaminourea) (CID 87072339) is copper;bis(1,3-diaminourea).
What is the SMILES notation for copper;bis(1,3-diaminourea)?
The canonical SMILES for copper;bis(1,3-diaminourea) is NNC(=O)NN.NNC(=O)NN.[Cu].
What is the InChIKey of copper;bis(1,3-diaminourea)?
The InChIKey is PCHRBVBLYUSJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH6N4O.Cu/c2*2-4-1(6)5-3;/h2*2-3H2,(H2,4,5,6);.
What are the key properties of copper;bis(1,3-diaminourea)?
copper;bis(1,3-diaminourea) has a molecular weight of 243.72 g/mol, XLogP of -3.94, 0 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(1,3-diaminourea) is sourced from PubChem (CID 87072339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).