2,3,5-triphenyl-1H-tetrazole;hydrochloride

C19H17ClN4 — CID 44782304

IUPAC2,3,5-triphenyl-1H-tetrazole;hydrochloride
SMILESCl.c1ccc(C2=NN(c3ccccc3)N(c3ccccc3)N2)cc1
InChIInChI=1S/C19H16N4.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,(H,20,21);1H
InChIKeyLCJINPXTMHVZGV-UHFFFAOYSA-N
MW336.83 g/mol
LogP4.22
Rot. Bonds3

About 2,3,5-triphenyl-1H-tetrazole;hydrochloride

2,3,5-triphenyl-1H-tetrazole;hydrochloride (PubChem CID 44782304) has the molecular formula C19H17ClN4 and a molecular weight of 336.83 g/mol. Its IUPAC name is 2,3,5-triphenyl-1H-tetrazole;hydrochloride.

Molecular Properties

Compound Name2,3,5-triphenyl-1H-tetrazole;hydrochloride
PubChem CID44782304
Molecular FormulaC19H17ClN4
Molecular Weight336.83 g/mol
Exact Mass336.11
IUPAC Name2,3,5-triphenyl-1H-tetrazole;hydrochloride
SMILESCl.c1ccc(C2=NN(c3ccccc3)N(c3ccccc3)N2)cc1
InChIInChI=1S/C19H16N4.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,(H,20,21);1H
InChIKeyLCJINPXTMHVZGV-UHFFFAOYSA-N
XLogP4.22
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3,5-triphenyl-1H-tetrazole;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triphenyl-1H-tetrazole;hydrochloride?
The IUPAC name of 2,3,5-triphenyl-1H-tetrazole;hydrochloride (CID 44782304) is 2,3,5-triphenyl-1H-tetrazole;hydrochloride.
What is the SMILES notation for 2,3,5-triphenyl-1H-tetrazole;hydrochloride?
The canonical SMILES for 2,3,5-triphenyl-1H-tetrazole;hydrochloride is Cl.c1ccc(C2=NN(c3ccccc3)N(c3ccccc3)N2)cc1.
What is the InChIKey of 2,3,5-triphenyl-1H-tetrazole;hydrochloride?
The InChIKey is LCJINPXTMHVZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4.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,(H,20,21);1H.
What are the key properties of 2,3,5-triphenyl-1H-tetrazole;hydrochloride?
2,3,5-triphenyl-1H-tetrazole;hydrochloride has a molecular weight of 336.83 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triphenyl-1H-tetrazole;hydrochloride is sourced from PubChem (CID 44782304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).