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

C13H6Cl4N4 — CID 2799589

IUPAC1,5-bis(3,4-dichlorophenyl)tetrazole
SMILESClc1ccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C13H6Cl4N4/c14-9-3-1-7(5-11(9)16)13-18-19-20-21(13)8-2-4-10(15)12(17)6-8/h1-6H
InChIKeyYXHPXFQFVVHCME-UHFFFAOYSA-N
MW360.03 g/mol
LogP4.94
Rot. Bonds2

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

1,5-bis(3,4-dichlorophenyl)tetrazole (PubChem CID 2799589) has the molecular formula C13H6Cl4N4 and a molecular weight of 360.03 g/mol. Its IUPAC name is 1,5-bis(3,4-dichlorophenyl)tetrazole.

Molecular Properties

Compound Name1,5-bis(3,4-dichlorophenyl)tetrazole
PubChem CID2799589
Molecular FormulaC13H6Cl4N4
Molecular Weight360.03 g/mol
Exact Mass357.93
IUPAC Name1,5-bis(3,4-dichlorophenyl)tetrazole
SMILESClc1ccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C13H6Cl4N4/c14-9-3-1-7(5-11(9)16)13-18-19-20-21(13)8-2-4-10(15)12(17)6-8/h1-6H
InChIKeyYXHPXFQFVVHCME-UHFFFAOYSA-N
XLogP4.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.03
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(3,4-dichlorophenyl)tetrazole?
The IUPAC name of 1,5-bis(3,4-dichlorophenyl)tetrazole (CID 2799589) is 1,5-bis(3,4-dichlorophenyl)tetrazole.
What is the SMILES notation for 1,5-bis(3,4-dichlorophenyl)tetrazole?
The canonical SMILES for 1,5-bis(3,4-dichlorophenyl)tetrazole is Clc1ccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of 1,5-bis(3,4-dichlorophenyl)tetrazole?
The InChIKey is YXHPXFQFVVHCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4N4/c14-9-3-1-7(5-11(9)16)13-18-19-20-21(13)8-2-4-10(15)12(17)6-8/h1-6H.
What are the key properties of 1,5-bis(3,4-dichlorophenyl)tetrazole?
1,5-bis(3,4-dichlorophenyl)tetrazole has a molecular weight of 360.03 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(3,4-dichlorophenyl)tetrazole is sourced from PubChem (CID 2799589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).