1-nitrobenzotriazole;silver

C6H4AgN4O2 — CID 88789860

IUPAC1-nitrobenzotriazole;silver
SMILESO=[N+]([O-])n1nnc2ccccc21.[Ag]
InChIInChI=1S/C6H4N4O2.Ag/c11-10(12)9-6-4-2-1-3-5(6)7-8-9;/h1-4H;
InChIKeyTWMPKLSKSNTAMJ-UHFFFAOYSA-N
MW271.99 g/mol
LogP0.47
Rot. Bonds1

About 1-nitrobenzotriazole;silver

1-nitrobenzotriazole;silver (PubChem CID 88789860) has the molecular formula C6H4AgN4O2 and a molecular weight of 271.99 g/mol. Its IUPAC name is 1-nitrobenzotriazole;silver.

Molecular Properties

Compound Name1-nitrobenzotriazole;silver
PubChem CID88789860
Molecular FormulaC6H4AgN4O2
Molecular Weight271.99 g/mol
Exact Mass270.94
IUPAC Name1-nitrobenzotriazole;silver
SMILESO=[N+]([O-])n1nnc2ccccc21.[Ag]
InChIInChI=1S/C6H4N4O2.Ag/c11-10(12)9-6-4-2-1-3-5(6)7-8-9;/h1-4H;
InChIKeyTWMPKLSKSNTAMJ-UHFFFAOYSA-N
XLogP0.47
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.99
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azanium 1-oxidobenzotriazole
CID 23118068
1-[(2-nitrophenyl)methyl]benzotriazole
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CID 67584054
tris(benzotriazol-1-yl)borane
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1-(2-methyl-5-nitro-1H-imidazol-4-yl)benzotriazole
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2-(benzotriazol-1-yl)-5-nitroaniline
CID 55080350
1-(2-chloro-4-nitrophenyl)benzotriazole
CID 9212209
6-(benzotriazol-1-yl)-5-nitropyridin-2-amine
CID 80853759
1-[(1R)-2-nitro-1-thiophen-2-ylethyl]benzotriazole
CID 102178700
CID 68739763
CID 68739763
argon;1-hydroxybenzotriazole
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1-(5-bromo-3-nitro-2-pyridinyl)benzotriazole
CID 61374153

Frequently Asked Questions

What is the IUPAC name of 1-nitrobenzotriazole;silver?
The IUPAC name of 1-nitrobenzotriazole;silver (CID 88789860) is 1-nitrobenzotriazole;silver.
What is the SMILES notation for 1-nitrobenzotriazole;silver?
The canonical SMILES for 1-nitrobenzotriazole;silver is O=[N+]([O-])n1nnc2ccccc21.[Ag].
What is the InChIKey of 1-nitrobenzotriazole;silver?
The InChIKey is TWMPKLSKSNTAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2.Ag/c11-10(12)9-6-4-2-1-3-5(6)7-8-9;/h1-4H;.
What are the key properties of 1-nitrobenzotriazole;silver?
1-nitrobenzotriazole;silver has a molecular weight of 271.99 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitrobenzotriazole;silver is sourced from PubChem (CID 88789860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).