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

C19H19Cl2N5 — CID 46228567

IUPAC1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazine
SMILESClc1ccc(N2CCN(Cc3cn(-c4ccc(Cl)cc4)nn3)CC2)cc1
InChIInChI=1S/C19H19Cl2N5/c20-15-1-5-18(6-2-15)25-11-9-24(10-12-25)13-17-14-26(23-22-17)19-7-3-16(21)4-8-19/h1-8,14H,9-13H2
InChIKeyBZODXCBGNOIHLP-UHFFFAOYSA-N
MW388.30 g/mol
LogP3.90
Rot. Bonds4

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

1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazine (PubChem CID 46228567) has the molecular formula C19H19Cl2N5 and a molecular weight of 388.30 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazine
PubChem CID46228567
Molecular FormulaC19H19Cl2N5
Molecular Weight388.30 g/mol
Exact Mass387.10
IUPAC Name1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazine
SMILESClc1ccc(N2CCN(Cc3cn(-c4ccc(Cl)cc4)nn3)CC2)cc1
InChIInChI=1S/C19H19Cl2N5/c20-15-1-5-18(6-2-15)25-11-9-24(10-12-25)13-17-14-26(23-22-17)19-7-3-16(21)4-8-19/h1-8,14H,9-13H2
InChIKeyBZODXCBGNOIHLP-UHFFFAOYSA-N
XLogP3.90
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazine (CID 46228567) is 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazine is Clc1ccc(N2CCN(Cc3cn(-c4ccc(Cl)cc4)nn3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazine?
The InChIKey is BZODXCBGNOIHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5/c20-15-1-5-18(6-2-15)25-11-9-24(10-12-25)13-17-14-26(23-22-17)19-7-3-16(21)4-8-19/h1-8,14H,9-13H2.
What are the key properties of 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazine?
1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazine has a molecular weight of 388.30 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazine is sourced from PubChem (CID 46228567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).