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

C20H22ClN5 — CID 10474163

IUPAC2-[4-[4-[(3-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1cccc(Cl)c1
InChIInChI=1S/C20H22ClN5/c1-15-23-24-20(26(15)14-16-5-4-6-18(21)13-16)17-8-11-25(12-9-17)19-7-2-3-10-22-19/h2-7,10,13,17H,8-9,11-12,14H2,1H3
InChIKeyBZQLNYLDFAQCPR-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.07
Rot. Bonds4

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

2-[4-[4-[(3-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (PubChem CID 10474163) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-[4-[4-[(3-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[4-[(3-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
PubChem CID10474163
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC Name2-[4-[4-[(3-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1cccc(Cl)c1
InChIInChI=1S/C20H22ClN5/c1-15-23-24-20(26(15)14-16-5-4-6-18(21)13-16)17-8-11-25(12-9-17)19-7-2-3-10-22-19/h2-7,10,13,17H,8-9,11-12,14H2,1H3
InChIKeyBZQLNYLDFAQCPR-UHFFFAOYSA-N
XLogP4.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-[(3-chlorophenyl)methyl]-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-[(3-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The IUPAC name of 2-[4-[4-[(3-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (CID 10474163) is 2-[4-[4-[(3-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[4-[4-[(3-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 2-[4-[4-[(3-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is Cc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1cccc(Cl)c1.
What is the InChIKey of 2-[4-[4-[(3-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The InChIKey is BZQLNYLDFAQCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5/c1-15-23-24-20(26(15)14-16-5-4-6-18(21)13-16)17-8-11-25(12-9-17)19-7-2-3-10-22-19/h2-7,10,13,17H,8-9,11-12,14H2,1H3.
What are the key properties of 2-[4-[4-[(3-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
2-[4-[4-[(3-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine has a molecular weight of 367.88 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(3-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 10474163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).