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

C19H18ClN3 — CID 118709258

IUPAC3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc(C2(c3nnc4c(C5CCC5)cccn34)CC2)cc1
InChIInChI=1S/C19H18ClN3/c20-15-8-6-14(7-9-15)19(10-11-19)18-22-21-17-16(13-3-1-4-13)5-2-12-23(17)18/h2,5-9,12-13H,1,3-4,10-11H2
InChIKeyUTNGGQLDLOPGEY-UHFFFAOYSA-N
MW323.83 g/mol
LogP4.73
Rot. Bonds3

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

3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 118709258) has the molecular formula C19H18ClN3 and a molecular weight of 323.83 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID118709258
Molecular FormulaC19H18ClN3
Molecular Weight323.83 g/mol
Exact Mass323.12
IUPAC Name3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc(C2(c3nnc4c(C5CCC5)cccn34)CC2)cc1
InChIInChI=1S/C19H18ClN3/c20-15-8-6-14(7-9-15)19(10-11-19)18-22-21-17-16(13-3-1-4-13)5-2-12-23(17)18/h2,5-9,12-13H,1,3-4,10-11H2
InChIKeyUTNGGQLDLOPGEY-UHFFFAOYSA-N
XLogP4.73
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine (CID 118709258) is 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine is Clc1ccc(C2(c3nnc4c(C5CCC5)cccn34)CC2)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is UTNGGQLDLOPGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3/c20-15-8-6-14(7-9-15)19(10-11-19)18-22-21-17-16(13-3-1-4-13)5-2-12-23(17)18/h2,5-9,12-13H,1,3-4,10-11H2.
What are the key properties of 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 323.83 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 118709258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).