diberyllium;digallium;dizinc;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate);bis(5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate);5-methyl-2-pyridin-2-ylpyrazol-3-olate

C73H71Be2Ga2N21O6Zn2+8 — CID 159792447

About diberyllium;digallium;dizinc;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate);bis(5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate);5-methyl-2-pyridin-2-ylpyrazol-3-olate

diberyllium;digallium;dizinc;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate);bis(5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate);5-methyl-2-pyridin-2-ylpyrazol-3-olate (PubChem CID 159792447) has the molecular formula C73H71Be2Ga2N21O6Zn2+8 and a molecular weight of 1626.76 g/mol. Its IUPAC name is diberyllium;digallium;dizinc;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate);bis(5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate);5-methyl-2-pyridin-2-ylpyrazol-3-olate.

Molecular Properties

• Compound Name: diberyllium;digallium;dizinc;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate);bis(5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate);5-methyl-2-pyridin-2-ylpyrazol-3-olate
• PubChem CID: 159792447
• Molecular Formula: C73H71Be2Ga2N21O6Zn2+8
• Molecular Weight: 1626.76 g/mol
• Exact Mass: 1621.32
• IUPAC Name: diberyllium;digallium;dizinc;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate);bis(5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate);5-methyl-2-pyridin-2-ylpyrazol-3-olate
• SMILES: CCN(CC)c1ncn(-c2nccc3ccccc23)c1[O-].Cc1cc([O-])n(-c2ccccn2)n1.Cc1cc([O-])n(-n2nc(C)cc2C)c1.Cc1cc([O-])n(-n2nc(C)cc2C)c1.Cc1cccc(-c2nc([O-])n(-c3ccccn3)n2)c1.Cc1cccc(-c2nc([O-])n(-c3ccccn3)n2)c1.[Be+2].[Be+2].[Ga+3].[Ga+3].[Zn+2].[Zn+2]
• InChI: InChI=1S/C16H18N4O.2C14H12N4O.2C10H13N3O.C9H9N3O.2Be.2Ga.2Zn/c1-3-19(4-2)15-16(21)20(11-18-15)14-13-8-6-5-7-12(13)9-10-17-14;2*1-10-5-4-6-11(9-10)13-16-14(19)18(17-13)12-7-2-3-8-15-12;2*1-7-4-10(14)12(6-7)13-9(3)5-8(2)11-13;1-7-6-9(13)12(11-7)8-4-2-3-5-10-8;;;;;;/h5-11,21H,3-4H2,1-2H3;2*2-9H,1H3,(H,16,17,19);2*4-6,14H,1-3H3;2-6,13H,1H3;;;;;;/q;;;;;;2*+2;2*+3;2*+2/p-6
• InChIKey: NISQSEJPZHKXJB-UHFFFAOYSA-H
• XLogP: 6.87
• TPSA: 335.72 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 11
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1626.76
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diberyllium;digallium;dizinc;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate);bis(5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate);5-methyl-2-pyridin-2-ylpyrazol-3-olate?

The IUPAC name of diberyllium;digallium;dizinc;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate);bis(5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate);5-methyl-2-pyridin-2-ylpyrazol-3-olate (CID 159792447) is diberyllium;digallium;dizinc;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate);bis(5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate);5-methyl-2-pyridin-2-ylpyrazol-3-olate.

What is the SMILES notation for diberyllium;digallium;dizinc;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate);bis(5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate);5-methyl-2-pyridin-2-ylpyrazol-3-olate?

The canonical SMILES for diberyllium;digallium;dizinc;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate);bis(5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate);5-methyl-2-pyridin-2-ylpyrazol-3-olate is CCN(CC)c1ncn(-c2nccc3ccccc23)c1[O-].Cc1cc([O-])n(-c2ccccn2)n1.Cc1cc([O-])n(-n2nc(C)cc2C)c1.Cc1cc([O-])n(-n2nc(C)cc2C)c1.Cc1cccc(-c2nc([O-])n(-c3ccccn3)n2)c1.Cc1cccc(-c2nc([O-])n(-c3ccccn3)n2)c1.[Be+2].[Be+2].[Ga+3].[Ga+3].[Zn+2].[Zn+2].

What is the InChIKey of diberyllium;digallium;dizinc;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate);bis(5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate);5-methyl-2-pyridin-2-ylpyrazol-3-olate?

The InChIKey is NISQSEJPZHKXJB-UHFFFAOYSA-H. The full InChI is InChI=1S/C16H18N4O.2C14H12N4O.2C10H13N3O.C9H9N3O.2Be.2Ga.2Zn/c1-3-19(4-2)15-16(21)20(11-18-15)14-13-8-6-5-7-12(13)9-10-17-14;2*1-10-5-4-6-11(9-10)13-16-14(19)18(17-13)12-7-2-3-8-15-12;2*1-7-4-10(14)12(6-7)13-9(3)5-8(2)11-13;1-7-6-9(13)12(11-7)8-4-2-3-5-10-8;;;;;;/h5-11,21H,3-4H2,1-2H3;2*2-9H,1H3,(H,16,17,19);2*4-6,14H,1-3H3;2-6,13H,1H3;;;;;;/q;;;;;;2*+2;2*+3;2*+2/p-6.

What are the key properties of diberyllium;digallium;dizinc;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate);bis(5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate);5-methyl-2-pyridin-2-ylpyrazol-3-olate?

diberyllium;digallium;dizinc;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate);bis(5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate);5-methyl-2-pyridin-2-ylpyrazol-3-olate has a molecular weight of 1626.76 g/mol, XLogP of 6.87, 11 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for diberyllium;digallium;dizinc;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate);bis(5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate);5-methyl-2-pyridin-2-ylpyrazol-3-olate is sourced from PubChem (CID 159792447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).