silver 2,4-dihydrobenzotriazol-4-ide

C6H4AgN3 — CID 54723816

IUPACsilver 2,4-dihydrobenzotriazol-4-ide
SMILES[Ag+].[c-]1cccc2n[nH]nc12
InChIInChI=1S/C6H4N3.Ag/c1-2-4-6-5(3-1)7-9-8-6;/h1-3H,(H,7,8,9);/q-1;+1
InChIKeyZGOALQDEAZIUFI-UHFFFAOYSA-N
MW225.99 g/mol
LogP0.76
Rot. Bonds

About silver 2,4-dihydrobenzotriazol-4-ide

silver 2,4-dihydrobenzotriazol-4-ide (PubChem CID 54723816) has the molecular formula C6H4AgN3 and a molecular weight of 225.99 g/mol. Its IUPAC name is silver 2,4-dihydrobenzotriazol-4-ide.

Molecular Properties

Compound Namesilver 2,4-dihydrobenzotriazol-4-ide
PubChem CID54723816
Molecular FormulaC6H4AgN3
Molecular Weight225.99 g/mol
Exact Mass224.95
IUPAC Namesilver 2,4-dihydrobenzotriazol-4-ide
SMILES[Ag+].[c-]1cccc2n[nH]nc12
InChIInChI=1S/C6H4N3.Ag/c1-2-4-6-5(3-1)7-9-8-6;/h1-3H,(H,7,8,9);/q-1;+1
InChIKeyZGOALQDEAZIUFI-UHFFFAOYSA-N
XLogP0.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.99
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of silver 2,4-dihydrobenzotriazol-4-ide?
The IUPAC name of silver 2,4-dihydrobenzotriazol-4-ide (CID 54723816) is silver 2,4-dihydrobenzotriazol-4-ide.
What is the SMILES notation for silver 2,4-dihydrobenzotriazol-4-ide?
The canonical SMILES for silver 2,4-dihydrobenzotriazol-4-ide is [Ag+].[c-]1cccc2n[nH]nc12.
What is the InChIKey of silver 2,4-dihydrobenzotriazol-4-ide?
The InChIKey is ZGOALQDEAZIUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N3.Ag/c1-2-4-6-5(3-1)7-9-8-6;/h1-3H,(H,7,8,9);/q-1;+1.
What are the key properties of silver 2,4-dihydrobenzotriazol-4-ide?
silver 2,4-dihydrobenzotriazol-4-ide has a molecular weight of 225.99 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silver 2,4-dihydrobenzotriazol-4-ide is sourced from PubChem (CID 54723816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).