1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine

C19H20ClN5 — CID 10338184

IUPAC1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine
SMILESClc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C19H20ClN5/c20-16-6-8-19(9-7-16)25-15-17(21-22-25)14-23-10-12-24(13-11-23)18-4-2-1-3-5-18/h1-9,15H,10-14H2
InChIKeyWFCBAWWBMPFNRM-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.24
Rot. Bonds4

About 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine

1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine (PubChem CID 10338184) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine
PubChem CID10338184
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine
SMILESClc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C19H20ClN5/c20-16-6-8-19(9-7-16)25-15-17(21-22-25)14-23-10-12-24(13-11-23)18-4-2-1-3-5-18/h1-9,15H,10-14H2
InChIKeyWFCBAWWBMPFNRM-UHFFFAOYSA-N
XLogP3.24
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine 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 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine (CID 10338184) is 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine is Clc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)nn2)cc1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine?
The InChIKey is WFCBAWWBMPFNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c20-16-6-8-19(9-7-16)25-15-17(21-22-25)14-23-10-12-24(13-11-23)18-4-2-1-3-5-18/h1-9,15H,10-14H2.
What are the key properties of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine?
1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine has a molecular weight of 353.86 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 10338184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).