2,4,5-Triphenyl-4H-1,2,4-triazol-2-ium-3-ide

C20H15N3 — CID 2733186

IUPAC—
SMILES[c-]1n(-c2ccccc2)c(-c2ccccc2)n[n+]1-c1ccccc1
InChIInChI=1S/C20H15N3/c1-4-10-17(11-5-1)20-21-23(19-14-8-3-9-15-19)16-22(20)18-12-6-2-7-13-18/h1-15H
InChIKeyQZHWOLKBXYORRO-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.62
Rot. Bonds3

About 2,4,5-Triphenyl-4H-1,2,4-triazol-2-ium-3-ide

2,4,5-Triphenyl-4H-1,2,4-triazol-2-ium-3-ide (PubChem CID 2733186) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol.

Molecular Properties

Compound Name2,4,5-Triphenyl-4H-1,2,4-triazol-2-ium-3-ide
PubChem CID2733186
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name—
SMILES[c-]1n(-c2ccccc2)c(-c2ccccc2)n[n+]1-c1ccccc1
InChIInChI=1S/C20H15N3/c1-4-10-17(11-5-1)20-21-23(19-14-8-3-9-15-19)16-22(20)18-12-6-2-7-13-18/h1-15H
InChIKeyQZHWOLKBXYORRO-UHFFFAOYSA-N
XLogP3.62
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-Triphenyl-4H-1,2,4-triazol-2-ium-3-ide?
The IUPAC name of 2,4,5-Triphenyl-4H-1,2,4-triazol-2-ium-3-ide (CID 2733186) is not available.
What is the SMILES notation for 2,4,5-Triphenyl-4H-1,2,4-triazol-2-ium-3-ide?
The canonical SMILES for 2,4,5-Triphenyl-4H-1,2,4-triazol-2-ium-3-ide is [c-]1n(-c2ccccc2)c(-c2ccccc2)n[n+]1-c1ccccc1.
What is the InChIKey of 2,4,5-Triphenyl-4H-1,2,4-triazol-2-ium-3-ide?
The InChIKey is QZHWOLKBXYORRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c1-4-10-17(11-5-1)20-21-23(19-14-8-3-9-15-19)16-22(20)18-12-6-2-7-13-18/h1-15H.
What are the key properties of 2,4,5-Triphenyl-4H-1,2,4-triazol-2-ium-3-ide?
2,4,5-Triphenyl-4H-1,2,4-triazol-2-ium-3-ide has a molecular weight of 297.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-Triphenyl-4H-1,2,4-triazol-2-ium-3-ide is sourced from PubChem (CID 2733186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).