5-bromo-2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridine

C12H11BrN4 — CID 134609977

IUPAC5-bromo-2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C)n1-c1nc2cccc(Br)n2n1
InChIInChI=1S/C12H11BrN4/c1-8-6-7-9(2)16(8)12-14-11-5-3-4-10(13)17(11)15-12/h3-7H,1-2H3
InChIKeyKHXKKIPUJXWUDH-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.90
Rot. Bonds1

About 5-bromo-2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridine

5-bromo-2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134609977) has the molecular formula C12H11BrN4 and a molecular weight of 291.15 g/mol. Its IUPAC name is 5-bromo-2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-bromo-2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134609977
Molecular FormulaC12H11BrN4
Molecular Weight291.15 g/mol
Exact Mass290.02
IUPAC Name5-bromo-2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C)n1-c1nc2cccc(Br)n2n1
InChIInChI=1S/C12H11BrN4/c1-8-6-7-9(2)16(8)12-14-11-5-3-4-10(13)17(11)15-12/h3-7H,1-2H3
InChIKeyKHXKKIPUJXWUDH-UHFFFAOYSA-N
XLogP2.90
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]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

N-(4-bromophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5307801
3-Methyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 75201417
2-(3-Bromophenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidine
CID 686154
2-(4-Bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 684959
5-methyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 90025845
N-(2-bromophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5307789
2,5,7-Trimethyl-4-phenylpyrazolo[1,5-a]pyrimidin-4-ium
CID 2305658
7-(4-Bromophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 2982854
(e)-5,7-Dimethyl-2-(2-(6-(pyrrolidin-1-yl)pyridin-2-yl)vinyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 72706804
6-Bromo-5-methyl(1,2,4)triazolo(1,5-a)pyridine
CID 11629857
5-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 25215939
2,5-Dibromo-[1,2,4]triazolo[1,5-a]pyridine
CID 59276455

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-bromo-2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134609977) is 5-bromo-2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-bromo-2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-bromo-2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(C)n1-c1nc2cccc(Br)n2n1.
What is the InChIKey of 5-bromo-2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KHXKKIPUJXWUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4/c1-8-6-7-9(2)16(8)12-14-11-5-3-4-10(13)17(11)15-12/h3-7H,1-2H3.
What are the key properties of 5-bromo-2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
5-bromo-2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 291.15 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134609977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).