5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2H-benzotriazole

C22H23N5 — CID 10316297

IUPAC5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2H-benzotriazole
SMILESc1ccc2c(N3CCN(CCc4ccc5n[nH]nc5c4)CC3)cccc2c1
InChIInChI=1S/C22H23N5/c1-2-6-19-18(4-1)5-3-7-22(19)27-14-12-26(13-15-27)11-10-17-8-9-20-21(16-17)24-25-23-20/h1-9,16H,10-15H2,(H,23,24,25)
InChIKeyYQSXXLHEQOZMOT-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.48
Rot. Bonds4

About 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2H-benzotriazole

5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2H-benzotriazole (PubChem CID 10316297) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2H-benzotriazole.

Molecular Properties

Compound Name5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2H-benzotriazole
PubChem CID10316297
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2H-benzotriazole
SMILESc1ccc2c(N3CCN(CCc4ccc5n[nH]nc5c4)CC3)cccc2c1
InChIInChI=1S/C22H23N5/c1-2-6-19-18(4-1)5-3-7-22(19)27-14-12-26(13-15-27)11-10-17-8-9-20-21(16-17)24-25-23-20/h1-9,16H,10-15H2,(H,23,24,25)
InChIKeyYQSXXLHEQOZMOT-UHFFFAOYSA-N
XLogP3.48
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2H-benzotriazole?
The IUPAC name of 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2H-benzotriazole (CID 10316297) is 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2H-benzotriazole.
What is the SMILES notation for 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2H-benzotriazole?
The canonical SMILES for 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2H-benzotriazole is c1ccc2c(N3CCN(CCc4ccc5n[nH]nc5c4)CC3)cccc2c1.
What is the InChIKey of 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2H-benzotriazole?
The InChIKey is YQSXXLHEQOZMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-2-6-19-18(4-1)5-3-7-22(19)27-14-12-26(13-15-27)11-10-17-8-9-20-21(16-17)24-25-23-20/h1-9,16H,10-15H2,(H,23,24,25).
What are the key properties of 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2H-benzotriazole?
5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2H-benzotriazole has a molecular weight of 357.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2H-benzotriazole is sourced from PubChem (CID 10316297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).