5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole

C13H7Cl3N4 — CID 829537

IUPAC5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole
SMILESClc1ccc(-n2nnnc2-c2ccccc2Cl)cc1Cl
InChIInChI=1S/C13H7Cl3N4/c14-10-4-2-1-3-9(10)13-17-18-19-20(13)8-5-6-11(15)12(16)7-8/h1-7H
InChIKeyGCRDLTYLXOZREL-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.29
Rot. Bonds2

About 5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole

5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole (PubChem CID 829537) has the molecular formula C13H7Cl3N4 and a molecular weight of 325.59 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole
PubChem CID829537
Molecular FormulaC13H7Cl3N4
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole
SMILESClc1ccc(-n2nnnc2-c2ccccc2Cl)cc1Cl
InChIInChI=1S/C13H7Cl3N4/c14-10-4-2-1-3-9(10)13-17-18-19-20(13)8-5-6-11(15)12(16)7-8/h1-7H
InChIKeyGCRDLTYLXOZREL-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

2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline
CID 115936156
2-chloro-6-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]aniline
CID 115547966
2-chloro-6-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 115547943
2-chloro-3-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]aniline
CID 115936231
1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole
CID 107613014
3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107616314
4-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-3-chloroaniline
CID 107616302
1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole
CID 2799603
3-[1-(4-bromophenyl)tetrazol-5-yl]-4-chloroaniline
CID 61377193
5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61377400
2-[1-(2,4,5-trichlorophenyl)tetrazol-5-yl]aniline
CID 61351820
4-chloro-3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]aniline
CID 65499079

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole?
The IUPAC name of 5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole (CID 829537) is 5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole.
What is the SMILES notation for 5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole?
The canonical SMILES for 5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole is Clc1ccc(-n2nnnc2-c2ccccc2Cl)cc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole?
The InChIKey is GCRDLTYLXOZREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N4/c14-10-4-2-1-3-9(10)13-17-18-19-20(13)8-5-6-11(15)12(16)7-8/h1-7H.
What are the key properties of 5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole?
5-(2-chlorophenyl)-1-(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 5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole is sourced from PubChem (CID 829537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).