8-[4-(bromomethyl)triazol-1-yl]quinoline

C12H9BrN4 — CID 62401361

IUPAC8-[4-(bromomethyl)triazol-1-yl]quinoline
SMILESBrCc1cn(-c2cccc3cccnc23)nn1
InChIInChI=1S/C12H9BrN4/c13-7-10-8-17(16-15-10)11-5-1-3-9-4-2-6-14-12(9)11/h1-6,8H,7H2
InChIKeyFKDJKLLKUJOUNG-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.71
Rot. Bonds2

About 8-[4-(bromomethyl)triazol-1-yl]quinoline

8-[4-(bromomethyl)triazol-1-yl]quinoline (PubChem CID 62401361) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 8-[4-(bromomethyl)triazol-1-yl]quinoline.

Molecular Properties

Compound Name8-[4-(bromomethyl)triazol-1-yl]quinoline
PubChem CID62401361
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name8-[4-(bromomethyl)triazol-1-yl]quinoline
SMILESBrCc1cn(-c2cccc3cccnc23)nn1
InChIInChI=1S/C12H9BrN4/c13-7-10-8-17(16-15-10)11-5-1-3-9-4-2-6-14-12(9)11/h1-6,8H,7H2
InChIKeyFKDJKLLKUJOUNG-UHFFFAOYSA-N
XLogP2.71
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 8-[4-(bromomethyl)triazol-1-yl]quinoline 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-bromo-8-[4-(bromomethyl)triazol-1-yl]quinoline
CID 116785501
4-(bromomethyl)-1-(2-methylphenyl)triazole
CID 62401939
[1-(2-methylquinolin-8-yl)triazol-4-yl]methanamine
CID 55153081
8-[4-(2-chloroethyl)triazol-1-yl]-2-methylquinoline
CID 62952942
8-(3-methyl-1,2,4-triazol-1-yl)quinoline
CID 166607439
2-(1-naphthalen-1-yltriazol-4-yl)ethanamine
CID 116641542
1-(2-bromo-4-iodophenyl)-4-(bromomethyl)triazole
CID 130499582
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
5-methyl-1-quinolin-8-yltriazol-4-amine
CID 79502676
2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol
CID 107627317
3-quinolin-8-ylimidazolidine-2,4-dione
CID 106702916
4-(bromomethyl)-1-(2,3,5-trifluorophenyl)triazole
CID 62814137

Frequently Asked Questions

What is the IUPAC name of 8-[4-(bromomethyl)triazol-1-yl]quinoline?
The IUPAC name of 8-[4-(bromomethyl)triazol-1-yl]quinoline (CID 62401361) is 8-[4-(bromomethyl)triazol-1-yl]quinoline.
What is the SMILES notation for 8-[4-(bromomethyl)triazol-1-yl]quinoline?
The canonical SMILES for 8-[4-(bromomethyl)triazol-1-yl]quinoline is BrCc1cn(-c2cccc3cccnc23)nn1.
What is the InChIKey of 8-[4-(bromomethyl)triazol-1-yl]quinoline?
The InChIKey is FKDJKLLKUJOUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-7-10-8-17(16-15-10)11-5-1-3-9-4-2-6-14-12(9)11/h1-6,8H,7H2.
What are the key properties of 8-[4-(bromomethyl)triazol-1-yl]quinoline?
8-[4-(bromomethyl)triazol-1-yl]quinoline has a molecular weight of 289.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(bromomethyl)triazol-1-yl]quinoline is sourced from PubChem (CID 62401361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).