5-bromo-3-methyltriazolo[4,5-b]pyridine

C6H5BrN4 — CID 84679454

IUPAC5-bromo-3-methyltriazolo[4,5-b]pyridine
SMILESCn1nnc2ccc(Br)nc21
InChIInChI=1S/C6H5BrN4/c1-11-6-4(9-10-11)2-3-5(7)8-6/h2-3H,1H3
InChIKeyFDGHLEQJOXZIKR-UHFFFAOYSA-N
MW213.04 g/mol
LogP1.13
Rot. Bonds

About 5-bromo-3-methyltriazolo[4,5-b]pyridine

5-bromo-3-methyltriazolo[4,5-b]pyridine (PubChem CID 84679454) has the molecular formula C6H5BrN4 and a molecular weight of 213.04 g/mol. Its IUPAC name is 5-bromo-3-methyltriazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-methyltriazolo[4,5-b]pyridine
PubChem CID84679454
Molecular FormulaC6H5BrN4
Molecular Weight213.04 g/mol
Exact Mass211.97
IUPAC Name5-bromo-3-methyltriazolo[4,5-b]pyridine
SMILESCn1nnc2ccc(Br)nc21
InChIInChI=1S/C6H5BrN4/c1-11-6-4(9-10-11)2-3-5(7)8-6/h2-3H,1H3
InChIKeyFDGHLEQJOXZIKR-UHFFFAOYSA-N
XLogP1.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-bromo-3-methyltriazolo[4,5-b]pyridine 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

5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine
CID 73424711
6-bromo-1-methyltriazolo[4,5-c]pyridine
CID 170626731
5-bromo-3-cyclopropyl-2-methylimidazo[4,5-b]pyridine
CID 84707589
5-bromo-3-but-3-enyl-2-methylimidazo[4,5-b]pyridine
CID 135335908
6-iodo-1-methylbenzotriazole
CID 121232021
6-bromopyrido[2,3-b]pyrazine
CID 54759071
3-methyl-6-propan-2-yltriazolo[4,5-b]pyridine
CID 121289742
2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine
CID 63963042
2-bromo-8-chloro-1,5-naphthyridine
CID 96880051
5-iodo-1-methylbenzotriazole
CID 10061094
CID 68739763
CID 68739763
5-bromo-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine
CID 84704833

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyltriazolo[4,5-b]pyridine?
The IUPAC name of 5-bromo-3-methyltriazolo[4,5-b]pyridine (CID 84679454) is 5-bromo-3-methyltriazolo[4,5-b]pyridine.
What is the SMILES notation for 5-bromo-3-methyltriazolo[4,5-b]pyridine?
The canonical SMILES for 5-bromo-3-methyltriazolo[4,5-b]pyridine is Cn1nnc2ccc(Br)nc21.
What is the InChIKey of 5-bromo-3-methyltriazolo[4,5-b]pyridine?
The InChIKey is FDGHLEQJOXZIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4/c1-11-6-4(9-10-11)2-3-5(7)8-6/h2-3H,1H3.
What are the key properties of 5-bromo-3-methyltriazolo[4,5-b]pyridine?
5-bromo-3-methyltriazolo[4,5-b]pyridine has a molecular weight of 213.04 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyltriazolo[4,5-b]pyridine is sourced from PubChem (CID 84679454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).