5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole

C17H16Cl2N4 — CID 2732064

IUPAC5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole
SMILESCC(C)(C)c1ccc(-c2nnnn2-c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N4/c1-17(2,3)12-6-4-11(5-7-12)16-20-21-22-23(16)15-10-13(18)8-9-14(15)19/h4-10H,1-3H3
InChIKeyBYBUFJTZDMSGBI-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.93
Rot. Bonds2

About 5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole

5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole (PubChem CID 2732064) has the molecular formula C17H16Cl2N4 and a molecular weight of 347.25 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole
PubChem CID2732064
Molecular FormulaC17H16Cl2N4
Molecular Weight347.25 g/mol
Exact Mass346.08
IUPAC Name5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole
SMILESCC(C)(C)c1ccc(-c2nnnn2-c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N4/c1-17(2,3)12-6-4-11(5-7-12)16-20-21-22-23(16)15-10-13(18)8-9-14(15)19/h4-10H,1-3H3
InChIKeyBYBUFJTZDMSGBI-UHFFFAOYSA-N
XLogP4.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole 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

4-chloro-3-[1-(2,5-dichlorophenyl)tetrazol-5-yl]aniline
CID 61353052
5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole
CID 829550
1-(5-bromo-2-chlorophenyl)-5-phenyltetrazole
CID 62909460
5-(4-tert-butylphenyl)-1-(4-fluorophenyl)tetrazole
CID 821339
1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole
CID 2799603
4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]-2-fluoroaniline
CID 62681355
5-[1-(2-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107531057
5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine
CID 61353056
2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 61353068
ethyl 2-[2,4-dichloro-5-[5-(4-chlorophenyl)tetrazol-1-yl]phenoxy]acetate
CID 1479533
4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 61352885
2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline
CID 61378528

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole?
The IUPAC name of 5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole (CID 2732064) is 5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole?
The canonical SMILES for 5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole is CC(C)(C)c1ccc(-c2nnnn2-c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole?
The InChIKey is BYBUFJTZDMSGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4/c1-17(2,3)12-6-4-11(5-7-12)16-20-21-22-23(16)15-10-13(18)8-9-14(15)19/h4-10H,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole?
5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole has a molecular weight of 347.25 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole is sourced from PubChem (CID 2732064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).