disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);dinitrate

C24H22Ag2N12O6 — CID 139147450

IUPACdisilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].c1cnn(C(c2ccncc2)n2cccn2)c1.c1cnn(C(c2ccncc2)n2cccn2)c1
InChIInChI=1S/2C12H11N5.2Ag.2NO3/c2*1-5-14-16(9-1)12(17-10-2-6-15-17)11-3-7-13-8-4-11;;;2*2-1(3)4/h2*1-10,12H;;;;/q;;2*+1;2*-1
InChIKeyUTSLGAYWQALQBO-UHFFFAOYSA-N
MW790.25 g/mol
LogP2.66
Rot. Bonds6

About disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);dinitrate

disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);dinitrate (PubChem CID 139147450) has the molecular formula C24H22Ag2N12O6 and a molecular weight of 790.25 g/mol. Its IUPAC name is disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);dinitrate.

Molecular Properties

Compound Namedisilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);dinitrate
PubChem CID139147450
Molecular FormulaC24H22Ag2N12O6
Molecular Weight790.25 g/mol
Exact Mass787.99
IUPAC Namedisilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].c1cnn(C(c2ccncc2)n2cccn2)c1.c1cnn(C(c2ccncc2)n2cccn2)c1
InChIInChI=1S/2C12H11N5.2Ag.2NO3/c2*1-5-14-16(9-1)12(17-10-2-6-15-17)11-3-7-13-8-4-11;;;2*2-1(3)4/h2*1-10,12H;;;;/q;;2*+1;2*-1
InChIKeyUTSLGAYWQALQBO-UHFFFAOYSA-N
XLogP2.66
TPSA229.46 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

Disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate)
CID 139147453
Bis{2-[bis(3,5-dimethyl-1H-pyrazol-1-yl-kappaN^2^)methyl]pyridine-kappaN}copper(II) dinitrate
CID 139082457
Bis{2-[bis(3,5-dimethyl-1H-pyrazol-1-yl-kappaN^2^)methyl]pyridine-kappaN}cobalt(II) dinitrate
CID 139083913
4-[Bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 139145959
Disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);ditetrafluoroborate
CID 139146560
Disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);dinitrate
CID 139147452
Disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(difluorophosphinate)
CID 139147454
Disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);diperchlorate
CID 139147455
4-[1-[Bis(5-methyl-3-pyridin-4-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine
CID 22472432
iridium;2-phenylpyridine;5H-pyrido[3,4-a]indolizin-6-ium;1-[tri(pyrazol-1-yl)methyl]pyrazole
CID 160715587
8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole
CID 164849095
Bis(2,6-di(pyrazol-1-yl)-4-pyridin-4-ylpyridine);iron(2+);triperchlorate
CID 42646033

Frequently Asked Questions

What is the IUPAC name of disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);dinitrate?
The IUPAC name of disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);dinitrate (CID 139147450) is disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);dinitrate.
What is the SMILES notation for disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);dinitrate?
The canonical SMILES for disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].c1cnn(C(c2ccncc2)n2cccn2)c1.c1cnn(C(c2ccncc2)n2cccn2)c1.
What is the InChIKey of disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);dinitrate?
The InChIKey is UTSLGAYWQALQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11N5.2Ag.2NO3/c2*1-5-14-16(9-1)12(17-10-2-6-15-17)11-3-7-13-8-4-11;;;2*2-1(3)4/h2*1-10,12H;;;;/q;;2*+1;2*-1.
What are the key properties of disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);dinitrate?
disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);dinitrate has a molecular weight of 790.25 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);dinitrate is sourced from PubChem (CID 139147450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).