2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine

C14H12BrN3 — CID 117135097

IUPAC2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccn2nc(Cc3ccccc3Br)nc2c1
InChIInChI=1S/C14H12BrN3/c1-10-6-7-18-14(8-10)16-13(17-18)9-11-4-2-3-5-12(11)15/h2-8H,9H2,1H3
InChIKeyFIHRRHONUAZMAH-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.39
Rot. Bonds2

About 2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine

2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117135097) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117135097
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccn2nc(Cc3ccccc3Br)nc2c1
InChIInChI=1S/C14H12BrN3/c1-10-6-7-18-14(8-10)16-13(17-18)9-11-4-2-3-5-12(11)15/h2-8H,9H2,1H3
InChIKeyFIHRRHONUAZMAH-UHFFFAOYSA-N
XLogP3.39
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2-bromophenyl)methyl]-7-methyl-[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

7-bromo-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117135083
2-[(2-bromophenyl)methyl]-7-methylimidazo[1,2-a]pyridine
CID 117135086
2-[(4-methoxyphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566338
3-[(2-bromophenyl)methyl]-1,5-dimethyl-1,2,4-triazole
CID 82486920
2-(methoxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 171439840
2-(3-methoxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117133412
[2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117135053
N-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]ethanamine
CID 116989689
2-[(2-fluorophenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117135034
2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol
CID 114332664
[2-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117135042
7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135577

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 117135097) is 2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccn2nc(Cc3ccccc3Br)nc2c1.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is FIHRRHONUAZMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-10-6-7-18-14(8-10)16-13(17-18)9-11-4-2-3-5-12(11)15/h2-8H,9H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 302.18 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117135097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).