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

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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).