2-(4-bromophenyl)-5-phenyltetrazole

C13H9BrN4 — CID 3513585

IUPAC2-(4-bromophenyl)-5-phenyltetrazole
SMILESBrc1ccc(-n2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C13H9BrN4/c14-11-6-8-12(9-7-11)18-16-13(15-17-18)10-4-2-1-3-5-10/h1-9H
InChIKeyGKNJPZZOFPKPLR-UHFFFAOYSA-N
MW301.15 g/mol
LogP3.09
Rot. Bonds2

About 2-(4-bromophenyl)-5-phenyltetrazole

2-(4-bromophenyl)-5-phenyltetrazole (PubChem CID 3513585) has the molecular formula C13H9BrN4 and a molecular weight of 301.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-phenyltetrazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-phenyltetrazole
PubChem CID3513585
Molecular FormulaC13H9BrN4
Molecular Weight301.15 g/mol
Exact Mass300.00
IUPAC Name2-(4-bromophenyl)-5-phenyltetrazole
SMILESBrc1ccc(-n2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C13H9BrN4/c14-11-6-8-12(9-7-11)18-16-13(15-17-18)10-4-2-1-3-5-10/h1-9H
InChIKeyGKNJPZZOFPKPLR-UHFFFAOYSA-N
XLogP3.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-phenyltetrazole?
The IUPAC name of 2-(4-bromophenyl)-5-phenyltetrazole (CID 3513585) is 2-(4-bromophenyl)-5-phenyltetrazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-phenyltetrazole?
The canonical SMILES for 2-(4-bromophenyl)-5-phenyltetrazole is Brc1ccc(-n2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-phenyltetrazole?
The InChIKey is GKNJPZZOFPKPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4/c14-11-6-8-12(9-7-11)18-16-13(15-17-18)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-(4-bromophenyl)-5-phenyltetrazole?
2-(4-bromophenyl)-5-phenyltetrazole has a molecular weight of 301.15 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-phenyltetrazole is sourced from PubChem (CID 3513585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).