1-(3-bromophenyl)tetrazole

C7H5BrN4 — CID 14388235

IUPAC1-(3-bromophenyl)tetrazole
SMILESBrc1cccc(-n2cnnn2)c1
InChIInChI=1S/C7H5BrN4/c8-6-2-1-3-7(4-6)12-5-9-10-11-12/h1-5H
InChIKeyCRCFDMMRNPZPJY-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.42
Rot. Bonds1

About 1-(3-bromophenyl)tetrazole

1-(3-bromophenyl)tetrazole (PubChem CID 14388235) has the molecular formula C7H5BrN4 and a molecular weight of 225.05 g/mol. Its IUPAC name is 1-(3-bromophenyl)tetrazole.

Molecular Properties

Compound Name1-(3-bromophenyl)tetrazole
PubChem CID14388235
Molecular FormulaC7H5BrN4
Molecular Weight225.05 g/mol
Exact Mass223.97
IUPAC Name1-(3-bromophenyl)tetrazole
SMILESBrc1cccc(-n2cnnn2)c1
InChIInChI=1S/C7H5BrN4/c8-6-2-1-3-7(4-6)12-5-9-10-11-12/h1-5H
InChIKeyCRCFDMMRNPZPJY-UHFFFAOYSA-N
XLogP1.42
TPSA43.60 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 ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-1H-tetrazole
CID 138477
4-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 571640
5-bromo-1-phenyl-1H-1,2,3,4-tetrazole
CID 292542
3-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 863007
1-(2-bromophenyl)-1H-1,2,3,4-tetrazole
CID 702063
1-(4-fluorophenyl)-1H-1,2,3,4-tetrazole
CID 825628
1-(4-bromophenyl)-1H-tetrazole
CID 560805
5-Bromo-1-phenyl-1H-1,2,4-triazole
CID 12217067
1-(2-bromo-4-methylphenyl)-1H-1,2,3,4-tetrazole
CID 825627
1-(2,4-Difluoro-phenyl)-1H-tetrazole
CID 655495
1-(3-bromophenyl)-1H-1,2,4-triazole
CID 22329498
1-(4-bromophenyl)-5-methyl-1H-1,2,3,4-tetrazole
CID 43617302

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)tetrazole?
The IUPAC name of 1-(3-bromophenyl)tetrazole (CID 14388235) is 1-(3-bromophenyl)tetrazole.
What is the SMILES notation for 1-(3-bromophenyl)tetrazole?
The canonical SMILES for 1-(3-bromophenyl)tetrazole is Brc1cccc(-n2cnnn2)c1.
What is the InChIKey of 1-(3-bromophenyl)tetrazole?
The InChIKey is CRCFDMMRNPZPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4/c8-6-2-1-3-7(4-6)12-5-9-10-11-12/h1-5H.
What are the key properties of 1-(3-bromophenyl)tetrazole?
1-(3-bromophenyl)tetrazole has a molecular weight of 225.05 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)tetrazole is sourced from PubChem (CID 14388235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).