3-cycloheptyl-7-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine

C19H19Cl2N3 — CID 134131309

IUPAC3-cycloheptyl-7-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccc(Cl)c1-c1ccn2c(C3CCCCCC3)nnc2c1
InChIInChI=1S/C19H19Cl2N3/c20-15-8-5-9-16(21)18(15)14-10-11-24-17(12-14)22-23-19(24)13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2
InChIKeyZWACCKUOIPVNOI-UHFFFAOYSA-N
MW360.29 g/mol
LogP6.14
Rot. Bonds2

About 3-cycloheptyl-7-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine

3-cycloheptyl-7-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 134131309) has the molecular formula C19H19Cl2N3 and a molecular weight of 360.29 g/mol. Its IUPAC name is 3-cycloheptyl-7-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-cycloheptyl-7-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID134131309
Molecular FormulaC19H19Cl2N3
Molecular Weight360.29 g/mol
Exact Mass359.10
IUPAC Name3-cycloheptyl-7-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccc(Cl)c1-c1ccn2c(C3CCCCCC3)nnc2c1
InChIInChI=1S/C19H19Cl2N3/c20-15-8-5-9-16(21)18(15)14-10-11-24-17(12-14)22-23-19(24)13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2
InChIKeyZWACCKUOIPVNOI-UHFFFAOYSA-N
XLogP6.14
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.29
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cycloheptyl-7-(2,6-dichlorophenyl)-[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-cycloheptyl-7-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-cycloheptyl-7-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 134131309) is 3-cycloheptyl-7-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-cycloheptyl-7-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-cycloheptyl-7-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine is Clc1cccc(Cl)c1-c1ccn2c(C3CCCCCC3)nnc2c1.
What is the InChIKey of 3-cycloheptyl-7-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZWACCKUOIPVNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3/c20-15-8-5-9-16(21)18(15)14-10-11-24-17(12-14)22-23-19(24)13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2.
What are the key properties of 3-cycloheptyl-7-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-cycloheptyl-7-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 360.29 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-7-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 134131309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).