2,3,5-triphenyltetrazol-2-ium

C19H15N4+ — CID 9284

IUPAC2,3,5-triphenyltetrazol-2-ium
SMILESc1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15N4/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18/h1-15H/q+1
InChIKeyLNOBZXNCABUBKK-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.21
Rot. Bonds3

About 2,3,5-triphenyltetrazol-2-ium

2,3,5-triphenyltetrazol-2-ium (PubChem CID 9284) has the molecular formula C19H15N4+ and a molecular weight of 299.36 g/mol. Its IUPAC name is 2,3,5-triphenyltetrazol-2-ium.

Molecular Properties

Compound Name2,3,5-triphenyltetrazol-2-ium
PubChem CID9284
Molecular FormulaC19H15N4+
Molecular Weight299.36 g/mol
Exact Mass299.13
IUPAC Name2,3,5-triphenyltetrazol-2-ium
SMILESc1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15N4/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18/h1-15H/q+1
InChIKeyLNOBZXNCABUBKK-UHFFFAOYSA-N
XLogP3.21
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Triphenyltetrazolium chloride
CID 9283
Iodonitrotetrazolium violet
CID 64957
2,3,5-Triphenyltetrazolium bromide
CID 101965
Neotetrazolium Chloride
CID 2723605
Tetrazolium Violet
CID 74395
2-(4-fluorophenyl)-5-phenyl-2H-tetrazole
CID 2990094
2,3-Diphenyl-5-(p-diphenyl)tetrazolium chloride
CID 9953409
4-[2-(2-Fluoro-benzyl)-2H-tetrazol-5-yl]-phenylamine
CID 1463674
5-(2-bromophenyl)-2-(4-fluorophenyl)-2H-tetrazole
CID 2987080
2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium
CID 64958
Tetrazolium violet(1+)
CID 74396
4-(2-ethyl-2H-tetrazol-5-yl)aniline
CID 1132845

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triphenyltetrazol-2-ium?
The IUPAC name of 2,3,5-triphenyltetrazol-2-ium (CID 9284) is 2,3,5-triphenyltetrazol-2-ium.
What is the SMILES notation for 2,3,5-triphenyltetrazol-2-ium?
The canonical SMILES for 2,3,5-triphenyltetrazol-2-ium is c1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1.
What is the InChIKey of 2,3,5-triphenyltetrazol-2-ium?
The InChIKey is LNOBZXNCABUBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N4/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18/h1-15H/q+1.
What are the key properties of 2,3,5-triphenyltetrazol-2-ium?
2,3,5-triphenyltetrazol-2-ium has a molecular weight of 299.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triphenyltetrazol-2-ium is sourced from PubChem (CID 9284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).