5-(2-bromophenyl)-1H-1,2,4-triazole

C8H6BrN3 — CID 53216929

IUPAC5-(2-bromophenyl)-1H-1,2,4-triazole
SMILESBrc1ccccc1-c1ncn[nH]1
InChIInChI=1S/C8H6BrN3/c9-7-4-2-1-3-6(7)8-10-5-11-12-8/h1-5H,(H,10,11,12)
InChIKeyLSWFPACWJIHFDN-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.23
Rot. Bonds1

About 5-(2-bromophenyl)-1H-1,2,4-triazole

5-(2-bromophenyl)-1H-1,2,4-triazole (PubChem CID 53216929) has the molecular formula C8H6BrN3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-1H-1,2,4-triazole
PubChem CID53216929
Molecular FormulaC8H6BrN3
Molecular Weight224.06 g/mol
Exact Mass222.97
IUPAC Name5-(2-bromophenyl)-1H-1,2,4-triazole
SMILESBrc1ccccc1-c1ncn[nH]1
InChIInChI=1S/C8H6BrN3/c9-7-4-2-1-3-6(7)8-10-5-11-12-8/h1-5H,(H,10,11,12)
InChIKeyLSWFPACWJIHFDN-UHFFFAOYSA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-bromophenyl)-1H-1,2,4-triazole with MolForge

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

Launch Full Analysis

Related Compounds

1H-1,2,4-Triazole, 5-phenyl-
CID 18786
4-Bromo-2-(1H-1,2,4-triazol-3-yl)aniline
CID 62072644
5-(2-bromophenyl)-4H-1,2,4-triazol-3-amine
CID 2859280
3-(4-Bromophenyl)-5-phenyl-1H-1,2,4-triazole
CID 61353182
5-(4-bromophenyl)-4H-1,2,4-triazol-3-amine
CID 794036
3-(3-bromophenyl)-5-phenyl-1H-1,2,4-triazole
CID 1265631
5-(2-bromophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61352587
3-(4-Bromophenyl)-5-(methylsulfanyl)-1H-1,2,4-triazole
CID 44423387
3-(4-bromophenyl)-5-methyl-1H-1,2,4-triazole
CID 43166757
3-(4-bromophenyl)-4-methyl-4H-1,2,4-triazole
CID 79014882
3-bromo-5-phenyl-1H-1,2,4-triazole
CID 12217070
3-(2-bromophenyl)-4-methyl-4H-1,2,4-triazole
CID 26316547

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2-bromophenyl)-1H-1,2,4-triazole (CID 53216929) is 5-(2-bromophenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-bromophenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-bromophenyl)-1H-1,2,4-triazole is Brc1ccccc1-c1ncn[nH]1.
What is the InChIKey of 5-(2-bromophenyl)-1H-1,2,4-triazole?
The InChIKey is LSWFPACWJIHFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3/c9-7-4-2-1-3-6(7)8-10-5-11-12-8/h1-5H,(H,10,11,12).
What are the key properties of 5-(2-bromophenyl)-1H-1,2,4-triazole?
5-(2-bromophenyl)-1H-1,2,4-triazole has a molecular weight of 224.06 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 53216929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).