pentazinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[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;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate

C71H48F3N26O5Zn5+5 — CID 158445445

About pentazinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[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;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate

pentazinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[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;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate (PubChem CID 158445445) has the molecular formula C71H48F3N26O5Zn5+5 and a molecular weight of 1729.29 g/mol. Its IUPAC name is pentazinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[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;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate.

Molecular Properties

• Compound Name: pentazinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[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;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
• PubChem CID: 158445445
• Molecular Formula: C71H48F3N26O5Zn5+5
• Molecular Weight: 1729.29 g/mol
• Exact Mass: 1721.07
• IUPAC Name: pentazinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[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;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[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.[O-]c1nc(-c2ccccn2)nc2cc(-c3ccccc3)nn12.[O-]c1nc(-c2ccccn2)nc2cc(C(F)(F)F)nn12.[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]
• InChI: InChI=1S/C17H13N5O.C16H14N6O.C16H11N5O.C11H6F3N5O.C11H9N5O.5Zn/c1-11-5-7-12(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;12-11(13,14)7-5-8-16-9(6-3-1-2-4-15-6)17-10(20)19(8)18-7;1-7-6-9-13-10(8-4-2-3-5-12-8)14-11(17)16(9)15-7;;;;;/h2-10H,1H3,(H,19,20,23);3-9H,1-2H3,(H,18,19,23);1-10H,(H,18,19,22);1-5H,(H,16,17,20);2-6H,1H3,(H,13,14,17);;;;;/q;;;;;5*+2/p-5
• InChIKey: MXISMWDWEYLJIB-UHFFFAOYSA-I
• XLogP: 7.66
• TPSA: 400.08 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 8
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1729.29
LogP ≤ 5	7.66
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 pentazinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[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;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate?

The IUPAC name of pentazinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[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;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate (CID 158445445) is pentazinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[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;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate.

What is the SMILES notation for pentazinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[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;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate?

The canonical SMILES for pentazinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[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;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[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.[O-]c1nc(-c2ccccn2)nc2cc(-c3ccccc3)nn12.[O-]c1nc(-c2ccccn2)nc2cc(C(F)(F)F)nn12.[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].

What is the InChIKey of pentazinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[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;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate?

The InChIKey is MXISMWDWEYLJIB-UHFFFAOYSA-I. The full InChI is InChI=1S/C17H13N5O.C16H14N6O.C16H11N5O.C11H6F3N5O.C11H9N5O.5Zn/c1-11-5-7-12(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;12-11(13,14)7-5-8-16-9(6-3-1-2-4-15-6)17-10(20)19(8)18-7;1-7-6-9-13-10(8-4-2-3-5-12-8)14-11(17)16(9)15-7;;;;;/h2-10H,1H3,(H,19,20,23);3-9H,1-2H3,(H,18,19,23);1-10H,(H,18,19,22);1-5H,(H,16,17,20);2-6H,1H3,(H,13,14,17);;;;;/q;;;;;5*+2/p-5.

What are the key properties of pentazinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[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;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate?

pentazinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[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;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate has a molecular weight of 1729.29 g/mol, XLogP of 7.66, 8 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for pentazinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[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;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate is sourced from PubChem (CID 158445445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).