3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one

C23H23N5O — CID 24777378

IUPAC3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1CCN1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C23H23N5O/c29-23-20-9-3-4-10-21(20)24-25-28(23)17-14-26-12-15-27(16-13-26)22-11-5-7-18-6-1-2-8-19(18)22/h1-11H,12-17H2
InChIKeyJQQXUGWNTUCGOI-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.77
Rot. Bonds4

About 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one

3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one (PubChem CID 24777378) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one
PubChem CID24777378
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1CCN1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C23H23N5O/c29-23-20-9-3-4-10-21(20)24-25-28(23)17-14-26-12-15-27(16-13-26)22-11-5-7-18-6-1-2-8-19(18)22/h1-11H,12-17H2
InChIKeyJQQXUGWNTUCGOI-UHFFFAOYSA-N
XLogP2.77
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one (CID 24777378) is 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one is O=c1c2ccccc2nnn1CCN1CCN(c2cccc3ccccc23)CC1.
What is the InChIKey of 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one?
The InChIKey is JQQXUGWNTUCGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c29-23-20-9-3-4-10-21(20)24-25-28(23)17-14-26-12-15-27(16-13-26)22-11-5-7-18-6-1-2-8-19(18)22/h1-11H,12-17H2.
What are the key properties of 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one?
3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one has a molecular weight of 385.47 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 24777378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).