3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

C13H7BrN4 — CID 105392633

IUPAC3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(-c3cccc(Br)c3)n2c1
InChIInChI=1S/C13H7BrN4/c14-11-3-1-2-10(6-11)13-17-16-12-5-4-9(7-15)8-18(12)13/h1-6,8H
InChIKeyDEXUVQDAMZRUAY-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.03
Rot. Bonds1

About 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 105392633) has the molecular formula C13H7BrN4 and a molecular weight of 299.13 g/mol. Its IUPAC name is 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
PubChem CID105392633
Molecular FormulaC13H7BrN4
Molecular Weight299.13 g/mol
Exact Mass297.99
IUPAC Name3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(-c3cccc(Br)c3)n2c1
InChIInChI=1S/C13H7BrN4/c14-11-3-1-2-10(6-11)13-17-16-12-5-4-9(7-15)8-18(12)13/h1-6,8H
InChIKeyDEXUVQDAMZRUAY-UHFFFAOYSA-N
XLogP3.03
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile 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

3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138657
3-[(3-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392813
3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392776
3-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392740
3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
CID 139230149
3-(2-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392680
3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392546
3-quinoxalin-5-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392570
3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392803
4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
CID 83394379
3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 107974678
3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392541

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The IUPAC name of 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 105392633) is 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is N#Cc1ccc2nnc(-c3cccc(Br)c3)n2c1.
What is the InChIKey of 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The InChIKey is DEXUVQDAMZRUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrN4/c14-11-3-1-2-10(6-11)13-17-16-12-5-4-9(7-15)8-18(12)13/h1-6,8H.
What are the key properties of 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has a molecular weight of 299.13 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 105392633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).