3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclohexyloxy-[1,2,4]triazolo[4,3-a]pyridine

C21H22ClN3O — CID 118709254

IUPAC3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclohexyloxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc(C2(c3nnc4c(OC5CCCCC5)cccn34)CC2)cc1
InChIInChI=1S/C21H22ClN3O/c22-16-10-8-15(9-11-16)21(12-13-21)20-24-23-19-18(7-4-14-25(19)20)26-17-5-2-1-3-6-17/h4,7-11,14,17H,1-3,5-6,12-13H2
InChIKeyTWPRIJGADLWQSF-UHFFFAOYSA-N
MW367.88 g/mol
LogP5.17
Rot. Bonds4

About 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclohexyloxy-[1,2,4]triazolo[4,3-a]pyridine

3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclohexyloxy-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 118709254) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclohexyloxy-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclohexyloxy-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID118709254
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclohexyloxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc(C2(c3nnc4c(OC5CCCCC5)cccn34)CC2)cc1
InChIInChI=1S/C21H22ClN3O/c22-16-10-8-15(9-11-16)21(12-13-21)20-24-23-19-18(7-4-14-25(19)20)26-17-5-2-1-3-6-17/h4,7-11,14,17H,1-3,5-6,12-13H2
InChIKeyTWPRIJGADLWQSF-UHFFFAOYSA-N
XLogP5.17
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclohexyloxy-[1,2,4]triazolo[4,3-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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclohexyloxy-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclohexyloxy-[1,2,4]triazolo[4,3-a]pyridine (CID 118709254) is 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclohexyloxy-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclohexyloxy-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclohexyloxy-[1,2,4]triazolo[4,3-a]pyridine is Clc1ccc(C2(c3nnc4c(OC5CCCCC5)cccn34)CC2)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclohexyloxy-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is TWPRIJGADLWQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c22-16-10-8-15(9-11-16)21(12-13-21)20-24-23-19-18(7-4-14-25(19)20)26-17-5-2-1-3-6-17/h4,7-11,14,17H,1-3,5-6,12-13H2.
What are the key properties of 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclohexyloxy-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclohexyloxy-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 367.88 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclohexyloxy-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 118709254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).