8-chloro-3-ethyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine

C19H21ClN4 — CID 57459481

IUPAC8-chloro-3-ethyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCc1nnc2c(Cl)c(N3CCC(c4ccccc4)CC3)ccn12
InChIInChI=1S/C19H21ClN4/c1-2-17-21-22-19-18(20)16(10-13-24(17)19)23-11-8-15(9-12-23)14-6-4-3-5-7-14/h3-7,10,13,15H,2,8-9,11-12H2,1H3
InChIKeyNQCVQKPFAOKLIT-UHFFFAOYSA-N
MW340.86 g/mol
LogP4.33
Rot. Bonds3

About 8-chloro-3-ethyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-ethyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 57459481) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 8-chloro-3-ethyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-ethyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID57459481
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name8-chloro-3-ethyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCc1nnc2c(Cl)c(N3CCC(c4ccccc4)CC3)ccn12
InChIInChI=1S/C19H21ClN4/c1-2-17-21-22-19-18(20)16(10-13-24(17)19)23-11-8-15(9-12-23)14-6-4-3-5-7-14/h3-7,10,13,15H,2,8-9,11-12H2,1H3
InChIKeyNQCVQKPFAOKLIT-UHFFFAOYSA-N
XLogP4.33
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-ethyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-ethyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 57459481) is 8-chloro-3-ethyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-ethyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-ethyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine is CCc1nnc2c(Cl)c(N3CCC(c4ccccc4)CC3)ccn12.
What is the InChIKey of 8-chloro-3-ethyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NQCVQKPFAOKLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c1-2-17-21-22-19-18(20)16(10-13-24(17)19)23-11-8-15(9-12-23)14-6-4-3-5-7-14/h3-7,10,13,15H,2,8-9,11-12H2,1H3.
What are the key properties of 8-chloro-3-ethyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-ethyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 340.86 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-ethyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 57459481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).