azane;2H-benzotriazole-4-carboxylic acid;silver

C7H8AgN4O2 — CID 173422374

IUPACazane;2H-benzotriazole-4-carboxylic acid;silver
SMILESN.O=C(O)c1cccc2n[nH]nc12.[Ag]
InChIInChI=1S/C7H5N3O2.Ag.H3N/c11-7(12)4-2-1-3-5-6(4)9-10-8-5;;/h1-3H,(H,11,12)(H,8,9,10);;1H3
InChIKeyXKSHMUPLIXCAMD-UHFFFAOYSA-N
MW288.04 g/mol
LogP0.82
Rot. Bonds1

About azane;2H-benzotriazole-4-carboxylic acid;silver

azane;2H-benzotriazole-4-carboxylic acid;silver (PubChem CID 173422374) has the molecular formula C7H8AgN4O2 and a molecular weight of 288.04 g/mol. Its IUPAC name is azane;2H-benzotriazole-4-carboxylic acid;silver.

Molecular Properties

Compound Nameazane;2H-benzotriazole-4-carboxylic acid;silver
PubChem CID173422374
Molecular FormulaC7H8AgN4O2
Molecular Weight288.04 g/mol
Exact Mass286.97
IUPAC Nameazane;2H-benzotriazole-4-carboxylic acid;silver
SMILESN.O=C(O)c1cccc2n[nH]nc12.[Ag]
InChIInChI=1S/C7H5N3O2.Ag.H3N/c11-7(12)4-2-1-3-5-6(4)9-10-8-5;;/h1-3H,(H,11,12)(H,8,9,10);;1H3
InChIKeyXKSHMUPLIXCAMD-UHFFFAOYSA-N
XLogP0.82
TPSA113.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.04
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;2H-benzotriazole-4-carboxylic acid;silver?
The IUPAC name of azane;2H-benzotriazole-4-carboxylic acid;silver (CID 173422374) is azane;2H-benzotriazole-4-carboxylic acid;silver.
What is the SMILES notation for azane;2H-benzotriazole-4-carboxylic acid;silver?
The canonical SMILES for azane;2H-benzotriazole-4-carboxylic acid;silver is N.O=C(O)c1cccc2n[nH]nc12.[Ag].
What is the InChIKey of azane;2H-benzotriazole-4-carboxylic acid;silver?
The InChIKey is XKSHMUPLIXCAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2.Ag.H3N/c11-7(12)4-2-1-3-5-6(4)9-10-8-5;;/h1-3H,(H,11,12)(H,8,9,10);;1H3.
What are the key properties of azane;2H-benzotriazole-4-carboxylic acid;silver?
azane;2H-benzotriazole-4-carboxylic acid;silver has a molecular weight of 288.04 g/mol, XLogP of 0.82, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2H-benzotriazole-4-carboxylic acid;silver is sourced from PubChem (CID 173422374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).