5-hexyl-2,3-diphenyl-1H-tetrazol-1-ium chloride

C19H25ClN4 — CID 70493115

IUPAC5-hexyl-2,3-diphenyl-1H-tetrazol-1-ium chloride
SMILESCCCCCCC1=NN(c2ccccc2)N(c2ccccc2)[NH2+]1.[Cl-]
InChIInChI=1S/C19H24N4.ClH/c1-2-3-4-11-16-19-20-22(17-12-7-5-8-13-17)23(21-19)18-14-9-6-10-15-18;/h5-10,12-15H,2-4,11,16H2,1H3,(H,20,21);1H
InChIKeyUOSGISDWERJLNR-UHFFFAOYSA-N
MW344.89 g/mol
LogP0.69
Rot. Bonds7

About 5-hexyl-2,3-diphenyl-1H-tetrazol-1-ium chloride

5-hexyl-2,3-diphenyl-1H-tetrazol-1-ium chloride (PubChem CID 70493115) has the molecular formula C19H25ClN4 and a molecular weight of 344.89 g/mol. Its IUPAC name is 5-hexyl-2,3-diphenyl-1H-tetrazol-1-ium chloride.

Molecular Properties

Compound Name5-hexyl-2,3-diphenyl-1H-tetrazol-1-ium chloride
PubChem CID70493115
Molecular FormulaC19H25ClN4
Molecular Weight344.89 g/mol
Exact Mass344.18
IUPAC Name5-hexyl-2,3-diphenyl-1H-tetrazol-1-ium chloride
SMILESCCCCCCC1=NN(c2ccccc2)N(c2ccccc2)[NH2+]1.[Cl-]
InChIInChI=1S/C19H24N4.ClH/c1-2-3-4-11-16-19-20-22(17-12-7-5-8-13-17)23(21-19)18-14-9-6-10-15-18;/h5-10,12-15H,2-4,11,16H2,1H3,(H,20,21);1H
InChIKeyUOSGISDWERJLNR-UHFFFAOYSA-N
XLogP0.69
TPSA35.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-hexyl-2,3-diphenyl-1H-tetrazol-1-ium chloride 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-octyl-1-phenylimidazole
CID 70493166
2-undecylpyridine
CID 66882765
pentanonacontylbenzene
CID 165359347
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
acetylene;dodecylbenzene;ethane
CID 91021097
2-tetradecylpyridine;hydrochloride
CID 45489746
2-hexadecylpyridine;hydrate
CID 141211108
dodecylbenzene;pyridine
CID 174718010
hexylbenzene;hydrogen peroxide
CID 90001206

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2,3-diphenyl-1H-tetrazol-1-ium chloride?
The IUPAC name of 5-hexyl-2,3-diphenyl-1H-tetrazol-1-ium chloride (CID 70493115) is 5-hexyl-2,3-diphenyl-1H-tetrazol-1-ium chloride.
What is the SMILES notation for 5-hexyl-2,3-diphenyl-1H-tetrazol-1-ium chloride?
The canonical SMILES for 5-hexyl-2,3-diphenyl-1H-tetrazol-1-ium chloride is CCCCCCC1=NN(c2ccccc2)N(c2ccccc2)[NH2+]1.[Cl-].
What is the InChIKey of 5-hexyl-2,3-diphenyl-1H-tetrazol-1-ium chloride?
The InChIKey is UOSGISDWERJLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4.ClH/c1-2-3-4-11-16-19-20-22(17-12-7-5-8-13-17)23(21-19)18-14-9-6-10-15-18;/h5-10,12-15H,2-4,11,16H2,1H3,(H,20,21);1H.
What are the key properties of 5-hexyl-2,3-diphenyl-1H-tetrazol-1-ium chloride?
5-hexyl-2,3-diphenyl-1H-tetrazol-1-ium chloride has a molecular weight of 344.89 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2,3-diphenyl-1H-tetrazol-1-ium chloride is sourced from PubChem (CID 70493115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).