5-(4-bromophenyl)-3-methylimidazo[1,2-b][1,2,4]triazole

C11H9BrN4 — CID 13380891

IUPAC5-(4-bromophenyl)-3-methylimidazo[1,2-b][1,2,4]triazole
SMILESCn1cnn2cc(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C11H9BrN4/c1-15-7-13-16-6-10(14-11(15)16)8-2-4-9(12)5-3-8/h2-7H,1H3
InChIKeyGHRWCBPMQSWKEQ-UHFFFAOYSA-N
MW277.13 g/mol
LogP2.50
Rot. Bonds1

About 5-(4-bromophenyl)-3-methylimidazo[1,2-b][1,2,4]triazole

5-(4-bromophenyl)-3-methylimidazo[1,2-b][1,2,4]triazole (PubChem CID 13380891) has the molecular formula C11H9BrN4 and a molecular weight of 277.13 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-methylimidazo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-methylimidazo[1,2-b][1,2,4]triazole
PubChem CID13380891
Molecular FormulaC11H9BrN4
Molecular Weight277.13 g/mol
Exact Mass276.00
IUPAC Name5-(4-bromophenyl)-3-methylimidazo[1,2-b][1,2,4]triazole
SMILESCn1cnn2cc(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C11H9BrN4/c1-15-7-13-16-6-10(14-11(15)16)8-2-4-9(12)5-3-8/h2-7H,1H3
InChIKeyGHRWCBPMQSWKEQ-UHFFFAOYSA-N
XLogP2.50
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-bromophenyl)-3-methylimidazo[1,2-b][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

4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole
CID 58970273
6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 703338
2-(4-bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
CID 630093
2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole
CID 3438113
3-(4-bromophenyl)-4-methyl-1,2,4-triazole
CID 79014882
6-(4-bromophenyl)-2-(4-ethoxy-3,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 3045321
ethane;ethyl 4-(4-bromophenyl)-1-methylimidazole-2-carboxylate
CID 143461220
2-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole bromide
CID 21179342
(8S)-2-(4-bromophenyl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 129462803
2-(4-bromophenyl)-8-methylimidazo[1,2-a]pyridine
CID 4715410
[2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine
CID 82304335
2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride
CID 19869743

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-methylimidazo[1,2-b][1,2,4]triazole?
The IUPAC name of 5-(4-bromophenyl)-3-methylimidazo[1,2-b][1,2,4]triazole (CID 13380891) is 5-(4-bromophenyl)-3-methylimidazo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-methylimidazo[1,2-b][1,2,4]triazole?
The canonical SMILES for 5-(4-bromophenyl)-3-methylimidazo[1,2-b][1,2,4]triazole is Cn1cnn2cc(-c3ccc(Br)cc3)nc12.
What is the InChIKey of 5-(4-bromophenyl)-3-methylimidazo[1,2-b][1,2,4]triazole?
The InChIKey is GHRWCBPMQSWKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4/c1-15-7-13-16-6-10(14-11(15)16)8-2-4-9(12)5-3-8/h2-7H,1H3.
What are the key properties of 5-(4-bromophenyl)-3-methylimidazo[1,2-b][1,2,4]triazole?
5-(4-bromophenyl)-3-methylimidazo[1,2-b][1,2,4]triazole has a molecular weight of 277.13 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-methylimidazo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 13380891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).