disilver;bis(3,5-dipyridin-2-yl-1,2,4-triazol-4-amine);dinitrate

C24H20Ag2N14O6 — CID 139136152

IUPACdisilver;bis(3,5-dipyridin-2-yl-1,2,4-triazol-4-amine);dinitrate
SMILESNn1c(-c2ccccn2)nnc1-c1ccccn1.Nn1c(-c2ccccn2)nnc1-c1ccccn1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+]
InChIInChI=1S/2C12H10N6.2Ag.2NO3/c2*13-18-11(9-5-1-3-7-14-9)16-17-12(18)10-6-2-4-8-15-10;;;2*2-1(3)4/h2*1-8H,13H2;;;;/q;;2*+1;2*-1
InChIKeyAYSMSJRPMWJSLA-UHFFFAOYSA-N
MW816.25 g/mol
LogP1.75
Rot. Bonds4

About disilver;bis(3,5-dipyridin-2-yl-1,2,4-triazol-4-amine);dinitrate

disilver;bis(3,5-dipyridin-2-yl-1,2,4-triazol-4-amine);dinitrate (PubChem CID 139136152) has the molecular formula C24H20Ag2N14O6 and a molecular weight of 816.25 g/mol. Its IUPAC name is disilver;bis(3,5-dipyridin-2-yl-1,2,4-triazol-4-amine);dinitrate.

Molecular Properties

Compound Namedisilver;bis(3,5-dipyridin-2-yl-1,2,4-triazol-4-amine);dinitrate
PubChem CID139136152
Molecular FormulaC24H20Ag2N14O6
Molecular Weight816.25 g/mol
Exact Mass813.98
IUPAC Namedisilver;bis(3,5-dipyridin-2-yl-1,2,4-triazol-4-amine);dinitrate
SMILESNn1c(-c2ccccn2)nnc1-c1ccccn1.Nn1c(-c2ccccn2)nnc1-c1ccccn1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+]
InChIInChI=1S/2C12H10N6.2Ag.2NO3/c2*13-18-11(9-5-1-3-7-14-9)16-17-12(18)10-6-2-4-8-15-10;;;2*2-1(3)4/h2*1-8H,13H2;;;;/q;;2*+1;2*-1
InChIKeyAYSMSJRPMWJSLA-UHFFFAOYSA-N
XLogP1.75
TPSA297.42 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disilver;bis(3,5-dipyridin-2-yl-1,2,4-triazol-4-amine);dinitrate?
The IUPAC name of disilver;bis(3,5-dipyridin-2-yl-1,2,4-triazol-4-amine);dinitrate (CID 139136152) is disilver;bis(3,5-dipyridin-2-yl-1,2,4-triazol-4-amine);dinitrate.
What is the SMILES notation for disilver;bis(3,5-dipyridin-2-yl-1,2,4-triazol-4-amine);dinitrate?
The canonical SMILES for disilver;bis(3,5-dipyridin-2-yl-1,2,4-triazol-4-amine);dinitrate is Nn1c(-c2ccccn2)nnc1-c1ccccn1.Nn1c(-c2ccccn2)nnc1-c1ccccn1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].
What is the InChIKey of disilver;bis(3,5-dipyridin-2-yl-1,2,4-triazol-4-amine);dinitrate?
The InChIKey is AYSMSJRPMWJSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10N6.2Ag.2NO3/c2*13-18-11(9-5-1-3-7-14-9)16-17-12(18)10-6-2-4-8-15-10;;;2*2-1(3)4/h2*1-8H,13H2;;;;/q;;2*+1;2*-1.
What are the key properties of disilver;bis(3,5-dipyridin-2-yl-1,2,4-triazol-4-amine);dinitrate?
disilver;bis(3,5-dipyridin-2-yl-1,2,4-triazol-4-amine);dinitrate has a molecular weight of 816.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(3,5-dipyridin-2-yl-1,2,4-triazol-4-amine);dinitrate is sourced from PubChem (CID 139136152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).