5-(4-bromophenyl)-5H-tetrazole

C7H5BrN4 — CID 174899886

IUPAC5-(4-bromophenyl)-5H-tetrazole
SMILESBrc1ccc(C2N=NN=N2)cc1
InChIInChI=1S/C7H5BrN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4,7H
InChIKeyUPQPNZUCROWTSJ-UHFFFAOYSA-N
MW225.05 g/mol
LogP3.28
Rot. Bonds1

About 5-(4-bromophenyl)-5H-tetrazole

5-(4-bromophenyl)-5H-tetrazole (PubChem CID 174899886) has the molecular formula C7H5BrN4 and a molecular weight of 225.05 g/mol. Its IUPAC name is 5-(4-bromophenyl)-5H-tetrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-5H-tetrazole
PubChem CID174899886
Molecular FormulaC7H5BrN4
Molecular Weight225.05 g/mol
Exact Mass223.97
IUPAC Name5-(4-bromophenyl)-5H-tetrazole
SMILESBrc1ccc(C2N=NN=N2)cc1
InChIInChI=1S/C7H5BrN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4,7H
InChIKeyUPQPNZUCROWTSJ-UHFFFAOYSA-N
XLogP3.28
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-tris(4-bromophenyl)-1,4-dihydro-1,3,5-triazine
CID 175255244
azane;1,4-dibromobenzene
CID 175259215
4-(4-bromophenyl)-1-methyl-4,5-dihydrotriazole
CID 155187775
2-(4-bromophenyl)cyclopropan-1-amine
CID 21190524
[2-(4-bromophenyl)aziridin-1-yl]silane
CID 123457799
1-bromo-4-(4-cyclohexylcyclohexyl)benzene
CID 57247187
2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 122477886
1,4-dibromobenzene;oxostibane
CID 173366156
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
2-(4-bromophenyl)cyclobutan-1-ol
CID 126971923
(2S)-2-(4-bromophenyl)azetidine
CID 91980119
(4-bromophenyl)-phenyliodanium
CID 6332504

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-5H-tetrazole?
The IUPAC name of 5-(4-bromophenyl)-5H-tetrazole (CID 174899886) is 5-(4-bromophenyl)-5H-tetrazole.
What is the SMILES notation for 5-(4-bromophenyl)-5H-tetrazole?
The canonical SMILES for 5-(4-bromophenyl)-5H-tetrazole is Brc1ccc(C2N=NN=N2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-5H-tetrazole?
The InChIKey is UPQPNZUCROWTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4,7H.
What are the key properties of 5-(4-bromophenyl)-5H-tetrazole?
5-(4-bromophenyl)-5H-tetrazole has a molecular weight of 225.05 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-5H-tetrazole is sourced from PubChem (CID 174899886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).