2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride

C21H21ClN4 — CID 171375722

IUPAC2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride
SMILESCc1ccc(N2N=C(c3ccccc3)NN2c2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C21H20N4.ClH/c1-16-8-12-19(13-9-16)24-22-21(18-6-4-3-5-7-18)23-25(24)20-14-10-17(2)11-15-20;/h3-15H,1-2H3,(H,22,23);1H
InChIKeyIYIJNMGGEGVHKF-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.83
Rot. Bonds3

About 2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride

2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride (PubChem CID 171375722) has the molecular formula C21H21ClN4 and a molecular weight of 364.88 g/mol. Its IUPAC name is 2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride.

Molecular Properties

Compound Name2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride
PubChem CID171375722
Molecular FormulaC21H21ClN4
Molecular Weight364.88 g/mol
Exact Mass364.15
IUPAC Name2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride
SMILESCc1ccc(N2N=C(c3ccccc3)NN2c2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C21H20N4.ClH/c1-16-8-12-19(13-9-16)24-22-21(18-6-4-3-5-7-18)23-25(24)20-14-10-17(2)11-15-20;/h3-15H,1-2H3,(H,22,23);1H
InChIKeyIYIJNMGGEGVHKF-UHFFFAOYSA-N
XLogP4.83
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-bis(4-methylphenyl)-5-phenyl-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

Related Compounds

2,3,5-triphenyl-1H-tetrazole
CID 506591
4-[3-(4-cyanophenyl)-5-phenyl-1H-tetrazol-2-yl]benzonitrile
CID 71347875
2-[3-(4-methylphenyl)-5-phenyl-1H-tetrazol-2-yl]-1,3-benzothiazole;hydrobromide
CID 173437107
2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride
CID 171375760
3-(2,3-diphenyl-1H-tetrazol-5-yl)pyridine
CID 71371596
2,3-bis(3-fluorophenyl)-5-phenyl-1H-tetrazole;hydrochloride
CID 173024183
2-(3,5-diphenyl-1H-tetrazol-2-yl)-4,5-dimethyl-1,3-thiazol-3-ium
CID 68574052
2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine
CID 19911238
2,3-bis(3-chlorophenyl)-5-phenyl-1H-tetrazole
CID 53446169
2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole
CID 88842181
2,4,6-tris(4-phenylphenyl)-1H-1,2,4,5-tetrazin-3-one
CID 91573786
4-(4-methylphenyl)-2,6-diphenyl-1,3,4,5-thiatriazine
CID 14930639

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride?
The IUPAC name of 2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride (CID 171375722) is 2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride.
What is the SMILES notation for 2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride?
The canonical SMILES for 2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride is Cc1ccc(N2N=C(c3ccccc3)NN2c2ccc(C)cc2)cc1.Cl.
What is the InChIKey of 2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride?
The InChIKey is IYIJNMGGEGVHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4.ClH/c1-16-8-12-19(13-9-16)24-22-21(18-6-4-3-5-7-18)23-25(24)20-14-10-17(2)11-15-20;/h3-15H,1-2H3,(H,22,23);1H.
What are the key properties of 2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride?
2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride is sourced from PubChem (CID 171375722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).