disilver;bis(2-(pyridin-3-ylmethyl)benzotriazole);dinitrate

C24H20Ag2N10O6 — CID 139075583

IUPACdisilver;bis(2-(pyridin-3-ylmethyl)benzotriazole);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].c1cncc(Cn2nc3ccccc3n2)c1.c1cncc(Cn2nc3ccccc3n2)c1
InChIInChI=1S/2C12H10N4.2Ag.2NO3/c2*1-2-6-12-11(5-1)14-16(15-12)9-10-4-3-7-13-8-10;;;2*2-1(3)4/h2*1-8H,9H2;;;;/q;;2*+1;2*-1
InChIKeyGVUIKGYKAZZGBR-UHFFFAOYSA-N
MW760.22 g/mol
LogP3.27
Rot. Bonds4

About disilver;bis(2-(pyridin-3-ylmethyl)benzotriazole);dinitrate

disilver;bis(2-(pyridin-3-ylmethyl)benzotriazole);dinitrate (PubChem CID 139075583) has the molecular formula C24H20Ag2N10O6 and a molecular weight of 760.22 g/mol. Its IUPAC name is disilver;bis(2-(pyridin-3-ylmethyl)benzotriazole);dinitrate.

Molecular Properties

Compound Namedisilver;bis(2-(pyridin-3-ylmethyl)benzotriazole);dinitrate
PubChem CID139075583
Molecular FormulaC24H20Ag2N10O6
Molecular Weight760.22 g/mol
Exact Mass757.97
IUPAC Namedisilver;bis(2-(pyridin-3-ylmethyl)benzotriazole);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].c1cncc(Cn2nc3ccccc3n2)c1.c1cncc(Cn2nc3ccccc3n2)c1
InChIInChI=1S/2C12H10N4.2Ag.2NO3/c2*1-2-6-12-11(5-1)14-16(15-12)9-10-4-3-7-13-8-10;;;2*2-1(3)4/h2*1-8H,9H2;;;;/q;;2*+1;2*-1
InChIKeyGVUIKGYKAZZGBR-UHFFFAOYSA-N
XLogP3.27
TPSA219.60 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.22
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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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Related Compounds

9-Pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole
CID 86059681
2-[4-[6-(Difluoromethyl)pyridin-2-yl]but-3-ynyl]benzotriazole;4,6-difluoro-2-(4-pyridin-2-ylbut-3-ynyl)benzotriazole
CID 158639875
1-(2,5-Diphenyl-3-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole
CID 85403165
2-(Pyridin-3-ylmethyl)benzotriazole
CID 91308054
bis[mu-1-(2-pyridylmethyl)-1H-benzotriazole]bis[nitratosilver(I)]
CID 139069642
Bis[mu-1-(2-pyridylmethyl)-1H-benzotriazole]disilver(I) bis(perchlorate)
CID 139077800
Disilver;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);dinitrate
CID 139132081
Copper;2,6-bis[(4-phenyltriazol-1-yl)methyl]pyridine;dinitrate
CID 139137073
Disilver;bis(1-pyridin-2-ylbenzotriazole);dinitrate
CID 139154843
3,8-Bis(pyridin-2-ylmethyl)-4,5-dihydrotriazolo[4,5-e]benzotriazole
CID 162417136
Silver;2,3-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]quinoxaline;perchlorate
CID 168303155
2-(1-Phenyltriazol-4-yl)pyridine
CID 168327233

Frequently Asked Questions

What is the IUPAC name of disilver;bis(2-(pyridin-3-ylmethyl)benzotriazole);dinitrate?
The IUPAC name of disilver;bis(2-(pyridin-3-ylmethyl)benzotriazole);dinitrate (CID 139075583) is disilver;bis(2-(pyridin-3-ylmethyl)benzotriazole);dinitrate.
What is the SMILES notation for disilver;bis(2-(pyridin-3-ylmethyl)benzotriazole);dinitrate?
The canonical SMILES for disilver;bis(2-(pyridin-3-ylmethyl)benzotriazole);dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].c1cncc(Cn2nc3ccccc3n2)c1.c1cncc(Cn2nc3ccccc3n2)c1.
What is the InChIKey of disilver;bis(2-(pyridin-3-ylmethyl)benzotriazole);dinitrate?
The InChIKey is GVUIKGYKAZZGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10N4.2Ag.2NO3/c2*1-2-6-12-11(5-1)14-16(15-12)9-10-4-3-7-13-8-10;;;2*2-1(3)4/h2*1-8H,9H2;;;;/q;;2*+1;2*-1.
What are the key properties of disilver;bis(2-(pyridin-3-ylmethyl)benzotriazole);dinitrate?
disilver;bis(2-(pyridin-3-ylmethyl)benzotriazole);dinitrate has a molecular weight of 760.22 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(2-(pyridin-3-ylmethyl)benzotriazole);dinitrate is sourced from PubChem (CID 139075583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).