2,3,5-triphenyltetrazol-2-ium chloride

C19H15ClN4 — CID 9283

IUPAC2,3,5-triphenyltetrazol-2-ium chloride
SMILES[Cl-].c1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15N4.ClH/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;1H/q+1;/p-1
InChIKeyPKDBCJSWQUOKDO-UHFFFAOYSA-M
MW334.81 g/mol
LogP0.22
Rot. Bonds3

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

2,3,5-triphenyltetrazol-2-ium chloride (PubChem CID 9283) has the molecular formula C19H15ClN4 and a molecular weight of 334.81 g/mol. Its IUPAC name is 2,3,5-triphenyltetrazol-2-ium chloride.

Molecular Properties

Compound Name2,3,5-triphenyltetrazol-2-ium chloride
PubChem CID9283
Molecular FormulaC19H15ClN4
Molecular Weight334.81 g/mol
Exact Mass334.10
IUPAC Name2,3,5-triphenyltetrazol-2-ium chloride
SMILES[Cl-].c1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15N4.ClH/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;1H/q+1;/p-1
InChIKeyPKDBCJSWQUOKDO-UHFFFAOYSA-M
XLogP0.22
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 50.22
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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Frequently Asked Questions

What is the IUPAC name of 2,3,5-triphenyltetrazol-2-ium chloride?
The IUPAC name of 2,3,5-triphenyltetrazol-2-ium chloride (CID 9283) is 2,3,5-triphenyltetrazol-2-ium chloride.
What is the SMILES notation for 2,3,5-triphenyltetrazol-2-ium chloride?
The canonical SMILES for 2,3,5-triphenyltetrazol-2-ium chloride is [Cl-].c1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1.
What is the InChIKey of 2,3,5-triphenyltetrazol-2-ium chloride?
The InChIKey is PKDBCJSWQUOKDO-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15N4.ClH/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;1H/q+1;/p-1.
What are the key properties of 2,3,5-triphenyltetrazol-2-ium chloride?
2,3,5-triphenyltetrazol-2-ium chloride has a molecular weight of 334.81 g/mol, XLogP of 0.22, 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 chloride is sourced from PubChem (CID 9283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).