Disilver;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);dinitrate

C₂₈H₂₄Ag₂N₁₀O₆ — CID 139132081

About Disilver;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);dinitrate

Disilver;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);dinitrate (PubChem CID 139132081) has the molecular formula C₂₈H₂₄Ag₂N₁₀O₆ and a molecular weight of 812.30 g/mol. Its IUPAC name is disilver;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);dinitrate.

Molecular Properties

• Compound Name: Disilver;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);dinitrate
• PubChem CID: 139132081
• Molecular Formula: C₂₈H₂₄Ag₂N₁₀O₆
• Molecular Weight: 812.30 g/mol
• Exact Mass: 810.00
• IUPAC Name: disilver;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);dinitrate
• SMILES: O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].c1ccc(-c2cn(Cc3ccccn3)nn2)cc1.c1ccc(-c2cn(Cc3ccccn3)nn2)cc1
• InChI: InChI=1S/2C14H12N4.2Ag.2NO3/c2*1-2-6-12(7-3-1)14-11-18(17-16-14)10-13-8-4-5-9-15-13;;;2*2-1(3)4/h2*1-9,11H,10H2;;;;/q;;2*+1;2*-1
• InChIKey: HBSODYRXFQVXPN-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 219.60 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.30
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Disilver;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);dinitrate?

The IUPAC name of Disilver;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);dinitrate (CID 139132081) is disilver;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);dinitrate.

What is the SMILES notation for Disilver;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);dinitrate?

The canonical SMILES for Disilver;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].c1ccc(-c2cn(Cc3ccccn3)nn2)cc1.c1ccc(-c2cn(Cc3ccccn3)nn2)cc1.

What is the InChIKey of Disilver;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);dinitrate?

The InChIKey is HBSODYRXFQVXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12N4.2Ag.2NO3/c2*1-2-6-12(7-3-1)14-11-18(17-16-14)10-13-8-4-5-9-15-13;;;2*2-1(3)4/h2*1-9,11H,10H2;;;;/q;;2*+1;2*-1.

What are the key properties of Disilver;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);dinitrate?

Disilver;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);dinitrate has a molecular weight of 812.30 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for Disilver;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);dinitrate is sourced from PubChem (CID 139132081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139132081 — identifiers, structure, computed properties (public domain)

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