2-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

C19H20ClN5 — CID 11451056

IUPAC2-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN5/c1-14-22-23-19(25(14)17-7-5-16(20)6-8-17)15-9-12-24(13-10-15)18-4-2-3-11-21-18/h2-8,11,15H,9-10,12-13H2,1H3
InChIKeyLBFJBVVULXJRNT-UHFFFAOYSA-N
MW353.86 g/mol
LogP4.01
Rot. Bonds3

About 2-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

2-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (PubChem CID 11451056) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 2-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
PubChem CID11451056
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name2-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN5/c1-14-22-23-19(25(14)17-7-5-16(20)6-8-17)15-9-12-24(13-10-15)18-4-2-3-11-21-18/h2-8,11,15H,9-10,12-13H2,1H3
InChIKeyLBFJBVVULXJRNT-UHFFFAOYSA-N
XLogP4.01
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]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 2-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The IUPAC name of 2-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (CID 11451056) is 2-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 2-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The InChIKey is LBFJBVVULXJRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-14-22-23-19(25(14)17-7-5-16(20)6-8-17)15-9-12-24(13-10-15)18-4-2-3-11-21-18/h2-8,11,15H,9-10,12-13H2,1H3.
What are the key properties of 2-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
2-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine has a molecular weight of 353.86 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 11451056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).