2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium

C21H20N5+ — CID 10914805

IUPAC2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium
SMILESCCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1nn[nH]n1
InChIInChI=1S/C21H20N5/c1-2-9-19-14-18(16-10-5-3-6-11-16)15-20(17-12-7-4-8-13-17)26(19)21-22-24-25-23-21/h3-8,10-15H,2,9H2,1H3,(H,22,23,24,25)/q+1
InChIKeyBKSQTUYHJDJCIQ-UHFFFAOYSA-N
MW342.43 g/mol
LogP3.76
Rot. Bonds5

About 2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium

2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium (PubChem CID 10914805) has the molecular formula C21H20N5+ and a molecular weight of 342.43 g/mol. Its IUPAC name is 2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium.

Molecular Properties

Compound Name2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium
PubChem CID10914805
Molecular FormulaC21H20N5+
Molecular Weight342.43 g/mol
Exact Mass342.17
IUPAC Name2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium
SMILESCCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1nn[nH]n1
InChIInChI=1S/C21H20N5/c1-2-9-19-14-18(16-10-5-3-6-11-16)15-20(17-12-7-4-8-13-17)26(19)21-22-24-25-23-21/h3-8,10-15H,2,9H2,1H3,(H,22,23,24,25)/q+1
InChIKeyBKSQTUYHJDJCIQ-UHFFFAOYSA-N
XLogP3.76
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium
CID 11782623
4-(2,4-diphenyl-6-propylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
CID 10768529
2-methyl-1,4,6-triphenylpyridin-1-ium
CID 3702073
N-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate
CID 15580043
1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium
CID 177325143
2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate
CID 44888468
2-[4-(2-butyl-4,6-diphenylpyridin-1-ium-1-yl)phenyl]sulfonylguanidine perchlorate
CID 10650956
2-[5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 10673895
1-octyl-2,4,6-triphenylpyridin-1-ium tetrafluoroborate
CID 12564811
carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium
CID 160651520
1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate
CID 13016817
2-chloro-4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate
CID 142748320

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium?
The IUPAC name of 2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium (CID 10914805) is 2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium.
What is the SMILES notation for 2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium?
The canonical SMILES for 2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium is CCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1nn[nH]n1.
What is the InChIKey of 2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium?
The InChIKey is BKSQTUYHJDJCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N5/c1-2-9-19-14-18(16-10-5-3-6-11-16)15-20(17-12-7-4-8-13-17)26(19)21-22-24-25-23-21/h3-8,10-15H,2,9H2,1H3,(H,22,23,24,25)/q+1.
What are the key properties of 2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium?
2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium has a molecular weight of 342.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium is sourced from PubChem (CID 10914805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).