copper;1,10-phenanthroline;1H-1,2,4-triazole;dichloride

C14H11Cl2CuN5 — CID 71533481

IUPACcopper;1,10-phenanthroline;1H-1,2,4-triazole;dichloride
SMILES[Cl-].[Cl-].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1nc[nH]n1
InChIInChI=1S/C12H8N2.C2H3N3.2ClH.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-2-5-4-1;;;/h1-8H;1-2H,(H,3,4,5);2*1H;/q;;;;+2/p-2
InChIKeyPYOPHTGNLDANQH-UHFFFAOYSA-L
MW383.73 g/mol
LogP-3.41
Rot. Bonds

About copper;1,10-phenanthroline;1H-1,2,4-triazole;dichloride

copper;1,10-phenanthroline;1H-1,2,4-triazole;dichloride (PubChem CID 71533481) has the molecular formula C14H11Cl2CuN5 and a molecular weight of 383.73 g/mol. Its IUPAC name is copper;1,10-phenanthroline;1H-1,2,4-triazole;dichloride.

Molecular Properties

Compound Namecopper;1,10-phenanthroline;1H-1,2,4-triazole;dichloride
PubChem CID71533481
Molecular FormulaC14H11Cl2CuN5
Molecular Weight383.73 g/mol
Exact Mass381.97
IUPAC Namecopper;1,10-phenanthroline;1H-1,2,4-triazole;dichloride
SMILES[Cl-].[Cl-].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1nc[nH]n1
InChIInChI=1S/C12H8N2.C2H3N3.2ClH.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-2-5-4-1;;;/h1-8H;1-2H,(H,3,4,5);2*1H;/q;;;;+2/p-2
InChIKeyPYOPHTGNLDANQH-UHFFFAOYSA-L
XLogP-3.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.73
LogP ≤ 5-3.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze copper;1,10-phenanthroline;1H-1,2,4-triazole;dichloride 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

bis(1,10-phenanthroline);ruthenium
CID 15001085
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate
CID 175753824
pyrido[3,2-h]quinazoline
CID 55297723
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127
bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
CID 139076364
benzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+)
CID 140589187

Frequently Asked Questions

What is the IUPAC name of copper;1,10-phenanthroline;1H-1,2,4-triazole;dichloride?
The IUPAC name of copper;1,10-phenanthroline;1H-1,2,4-triazole;dichloride (CID 71533481) is copper;1,10-phenanthroline;1H-1,2,4-triazole;dichloride.
What is the SMILES notation for copper;1,10-phenanthroline;1H-1,2,4-triazole;dichloride?
The canonical SMILES for copper;1,10-phenanthroline;1H-1,2,4-triazole;dichloride is [Cl-].[Cl-].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1nc[nH]n1.
What is the InChIKey of copper;1,10-phenanthroline;1H-1,2,4-triazole;dichloride?
The InChIKey is PYOPHTGNLDANQH-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2.C2H3N3.2ClH.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-2-5-4-1;;;/h1-8H;1-2H,(H,3,4,5);2*1H;/q;;;;+2/p-2.
What are the key properties of copper;1,10-phenanthroline;1H-1,2,4-triazole;dichloride?
copper;1,10-phenanthroline;1H-1,2,4-triazole;dichloride has a molecular weight of 383.73 g/mol, XLogP of -3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1,10-phenanthroline;1H-1,2,4-triazole;dichloride is sourced from PubChem (CID 71533481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).