3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine

C12H9ClN4 — CID 117159368

IUPAC3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine
SMILESClc1ccc(Cn2nnc3cccnc32)cc1
InChIInChI=1S/C12H9ClN4/c13-10-5-3-9(4-6-10)8-17-12-11(15-16-17)2-1-7-14-12/h1-7H,8H2
InChIKeyUDJJILYGZLQVQA-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.53
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine

3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine (PubChem CID 117159368) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine
PubChem CID117159368
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine
SMILESClc1ccc(Cn2nnc3cccnc32)cc1
InChIInChI=1S/C12H9ClN4/c13-10-5-3-9(4-6-10)8-17-12-11(15-16-17)2-1-7-14-12/h1-7H,8H2
InChIKeyUDJJILYGZLQVQA-UHFFFAOYSA-N
XLogP2.53
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(4-chlorophenyl)methyl]triazolo[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

1-[(4-chlorophenyl)methyl]benzotriazole
CID 894883
triazolo[4,5-b]pyridin-3-ylmethanol
CID 141117967
3-[(4-chlorophenyl)methyl]benzotriazole-4-carbaldehyde
CID 88564897
trimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate
CID 141048536
6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514686
1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone
CID 71628890
3-[(4-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159968
3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridine-5-carboxamide
CID 151275107
4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide
CID 117159296
7-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-chlorophenyl)methyl]triazolo[4,5-d]pyrimidine
CID 18554453
3-[(4-chlorophenyl)methyl]-7-(1-phenylethylsulfanyl)triazolo[4,5-d]pyrimidine
CID 43955231
2-(chloromethyl)-3-[2-(4-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79294366

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine?
The IUPAC name of 3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine (CID 117159368) is 3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine is Clc1ccc(Cn2nnc3cccnc32)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine?
The InChIKey is UDJJILYGZLQVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-10-5-3-9(4-6-10)8-17-12-11(15-16-17)2-1-7-14-12/h1-7H,8H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine?
3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine has a molecular weight of 244.69 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine is sourced from PubChem (CID 117159368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).