1,5-bis(4-chlorophenyl)tetrazole

C13H8Cl2N4 — CID 2799602

IUPAC1,5-bis(4-chlorophenyl)tetrazole
SMILESClc1ccc(-c2nnnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H8Cl2N4/c14-10-3-1-9(2-4-10)13-16-17-18-19(13)12-7-5-11(15)6-8-12/h1-8H
InChIKeyXDMHHZRYVMGDEV-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.64
Rot. Bonds2

About 1,5-bis(4-chlorophenyl)tetrazole

1,5-bis(4-chlorophenyl)tetrazole (PubChem CID 2799602) has the molecular formula C13H8Cl2N4 and a molecular weight of 291.14 g/mol. Its IUPAC name is 1,5-bis(4-chlorophenyl)tetrazole.

Molecular Properties

Compound Name1,5-bis(4-chlorophenyl)tetrazole
PubChem CID2799602
Molecular FormulaC13H8Cl2N4
Molecular Weight291.14 g/mol
Exact Mass290.01
IUPAC Name1,5-bis(4-chlorophenyl)tetrazole
SMILESClc1ccc(-c2nnnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H8Cl2N4/c14-10-3-1-9(2-4-10)13-16-17-18-19(13)12-7-5-11(15)6-8-12/h1-8H
InChIKeyXDMHHZRYVMGDEV-UHFFFAOYSA-N
XLogP3.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,5-bis(4-chlorophenyl)tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-chlorophenyl)tetrazole?
The IUPAC name of 1,5-bis(4-chlorophenyl)tetrazole (CID 2799602) is 1,5-bis(4-chlorophenyl)tetrazole.
What is the SMILES notation for 1,5-bis(4-chlorophenyl)tetrazole?
The canonical SMILES for 1,5-bis(4-chlorophenyl)tetrazole is Clc1ccc(-c2nnnn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1,5-bis(4-chlorophenyl)tetrazole?
The InChIKey is XDMHHZRYVMGDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4/c14-10-3-1-9(2-4-10)13-16-17-18-19(13)12-7-5-11(15)6-8-12/h1-8H.
What are the key properties of 1,5-bis(4-chlorophenyl)tetrazole?
1,5-bis(4-chlorophenyl)tetrazole has a molecular weight of 291.14 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-chlorophenyl)tetrazole is sourced from PubChem (CID 2799602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).