tetraberyllium;zinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate

C77H55Be4N26O5Zn+5 — CID 160682658

About tetraberyllium;zinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate

tetraberyllium;zinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate (PubChem CID 160682658) has the molecular formula C77H55Be4N26O5Zn+5 and a molecular weight of 1525.90 g/mol. Its IUPAC name is tetraberyllium;zinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate.

Molecular Properties

• Compound Name: tetraberyllium;zinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate
• PubChem CID: 160682658
• Molecular Formula: C77H55Be4N26O5Zn+5
• Molecular Weight: 1525.90 g/mol
• Exact Mass: 1523.46
• IUPAC Name: tetraberyllium;zinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate
• SMILES: Cc1cc(C)n(-c2cnn3c([O-])nc(-c4ccccc4)nc23)n1.Cc1cc2nc(-c3ccccn3)nc([O-])n2n1.Cc1ccc(-c2cc3nc(-c4ccccn4)nc([O-])n3n2)cc1.Cc1cccc(-c2cc3nc(-c4ccccn4)nc([O-])n3n2)c1.[Be+2].[Be+2].[Be+2].[Be+2].[O-]c1nc(-c2ccccn2)nc2cc(-c3ccccc3)nn12.[Zn+2]
• InChI: InChI=1S/2C17H13N5O.C16H14N6O.C16H11N5O.C11H9N5O.4Be.Zn/c1-11-5-4-6-12(9-11)14-10-15-19-16(13-7-2-3-8-18-13)20-17(23)22(15)21-14;1-11-5-7-12(8-6-11)14-10-15-19-16(13-4-2-3-9-18-13)20-17(23)22(15)21-14;1-10-8-11(2)21(20-10)13-9-17-22-15(13)18-14(19-16(22)23)12-6-4-3-5-7-12;22-16-19-15(12-8-4-5-9-17-12)18-14-10-13(20-21(14)16)11-6-2-1-3-7-11;1-7-6-9-13-10(8-4-2-3-5-12-8)14-11(17)16(9)15-7;;;;;/h2*2-10H,1H3,(H,19,20,23);3-9H,1-2H3,(H,18,19,23);1-10H,(H,18,19,22);2-6H,1H3,(H,13,14,17);;;;;/q;;;;;5*+2/p-5
• InChIKey: ZIECQHHIKZZACB-UHFFFAOYSA-I
• XLogP: 7.11
• TPSA: 400.08 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 9
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1525.90
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetraberyllium;zinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate?

The IUPAC name of tetraberyllium;zinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate (CID 160682658) is tetraberyllium;zinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate.

What is the SMILES notation for tetraberyllium;zinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate?

The canonical SMILES for tetraberyllium;zinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate is Cc1cc(C)n(-c2cnn3c([O-])nc(-c4ccccc4)nc23)n1.Cc1cc2nc(-c3ccccn3)nc([O-])n2n1.Cc1ccc(-c2cc3nc(-c4ccccn4)nc([O-])n3n2)cc1.Cc1cccc(-c2cc3nc(-c4ccccn4)nc([O-])n3n2)c1.[Be+2].[Be+2].[Be+2].[Be+2].[O-]c1nc(-c2ccccn2)nc2cc(-c3ccccc3)nn12.[Zn+2].

What is the InChIKey of tetraberyllium;zinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate?

The InChIKey is ZIECQHHIKZZACB-UHFFFAOYSA-I. The full InChI is InChI=1S/2C17H13N5O.C16H14N6O.C16H11N5O.C11H9N5O.4Be.Zn/c1-11-5-4-6-12(9-11)14-10-15-19-16(13-7-2-3-8-18-13)20-17(23)22(15)21-14;1-11-5-7-12(8-6-11)14-10-15-19-16(13-4-2-3-9-18-13)20-17(23)22(15)21-14;1-10-8-11(2)21(20-10)13-9-17-22-15(13)18-14(19-16(22)23)12-6-4-3-5-7-12;22-16-19-15(12-8-4-5-9-17-12)18-14-10-13(20-21(14)16)11-6-2-1-3-7-11;1-7-6-9-13-10(8-4-2-3-5-12-8)14-11(17)16(9)15-7;;;;;/h2*2-10H,1H3,(H,19,20,23);3-9H,1-2H3,(H,18,19,23);1-10H,(H,18,19,22);2-6H,1H3,(H,13,14,17);;;;;/q;;;;;5*+2/p-5.

What are the key properties of tetraberyllium;zinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate?

tetraberyllium;zinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate has a molecular weight of 1525.90 g/mol, XLogP of 7.11, 9 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for tetraberyllium;zinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate is sourced from PubChem (CID 160682658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).