2-(4-bromophenyl)tetrazole-5-carboxamide

C8H6BrN5O — CID 71791716

IUPAC2-(4-bromophenyl)tetrazole-5-carboxamide
SMILESNC(=O)c1nnn(-c2ccc(Br)cc2)n1
InChIInChI=1S/C8H6BrN5O/c9-5-1-3-6(4-2-5)14-12-8(7(10)15)11-13-14/h1-4H,(H2,10,15)
InChIKeyXJENCFQUWIPNCZ-UHFFFAOYSA-N
MW268.07 g/mol
LogP0.52
Rot. Bonds2

About 2-(4-bromophenyl)tetrazole-5-carboxamide

2-(4-bromophenyl)tetrazole-5-carboxamide (PubChem CID 71791716) has the molecular formula C8H6BrN5O and a molecular weight of 268.07 g/mol. Its IUPAC name is 2-(4-bromophenyl)tetrazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)tetrazole-5-carboxamide
PubChem CID71791716
Molecular FormulaC8H6BrN5O
Molecular Weight268.07 g/mol
Exact Mass266.98
IUPAC Name2-(4-bromophenyl)tetrazole-5-carboxamide
SMILESNC(=O)c1nnn(-c2ccc(Br)cc2)n1
InChIInChI=1S/C8H6BrN5O/c9-5-1-3-6(4-2-5)14-12-8(7(10)15)11-13-14/h1-4H,(H2,10,15)
InChIKeyXJENCFQUWIPNCZ-UHFFFAOYSA-N
XLogP0.52
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromophenyl)tetrazole-5-carboxamide 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 2-(4-bromophenyl)tetrazole-5-carboxamide?
The IUPAC name of 2-(4-bromophenyl)tetrazole-5-carboxamide (CID 71791716) is 2-(4-bromophenyl)tetrazole-5-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)tetrazole-5-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)tetrazole-5-carboxamide is NC(=O)c1nnn(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)tetrazole-5-carboxamide?
The InChIKey is XJENCFQUWIPNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN5O/c9-5-1-3-6(4-2-5)14-12-8(7(10)15)11-13-14/h1-4H,(H2,10,15).
What are the key properties of 2-(4-bromophenyl)tetrazole-5-carboxamide?
2-(4-bromophenyl)tetrazole-5-carboxamide has a molecular weight of 268.07 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)tetrazole-5-carboxamide is sourced from PubChem (CID 71791716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).