1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole

C13H7Cl3N4 — CID 2799603

IUPAC1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole
SMILESClc1ccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H7Cl3N4/c14-9-2-4-10(5-3-9)20-13(17-18-19-20)8-1-6-11(15)12(16)7-8/h1-7H
InChIKeyBWUCYRQUDXZMAM-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.29
Rot. Bonds2

About 1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole

1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole (PubChem CID 2799603) has the molecular formula C13H7Cl3N4 and a molecular weight of 325.59 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole
PubChem CID2799603
Molecular FormulaC13H7Cl3N4
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole
SMILESClc1ccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H7Cl3N4/c14-9-2-4-10(5-3-9)20-13(17-18-19-20)8-1-6-11(15)12(16)7-8/h1-7H
InChIKeyBWUCYRQUDXZMAM-UHFFFAOYSA-N
XLogP4.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine
CID 82228170
5-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 61377778
5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-2-fluoroaniline
CID 61353255
4-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-2-fluoroaniline
CID 62682445
3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine
CID 2799832
5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole
CID 829537
5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline
CID 107370319
3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 61354046
5-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)tetrazole
CID 2732064
[1-(4-chlorophenyl)tetrazol-5-yl]hydrazine
CID 131053219
1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole
CID 736210
5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole
CID 2729740

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole (CID 2799603) is 1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole is Clc1ccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole?
The InChIKey is BWUCYRQUDXZMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N4/c14-9-2-4-10(5-3-9)20-13(17-18-19-20)8-1-6-11(15)12(16)7-8/h1-7H.
What are the key properties of 1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole?
1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole has a molecular weight of 325.59 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole is sourced from PubChem (CID 2799603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).