4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

C20H25N5O2 — CID 91837844

IUPAC4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESO=C1CCCN1CCN1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1
InChIInChI=1S/C20H25N5O2/c26-18-15-17(20(22-21-18)16-5-2-1-3-6-16)24-12-9-23(10-13-24)11-14-25-8-4-7-19(25)27/h1-3,5-6,15H,4,7-14H2,(H,21,26)
InChIKeyKTMSPSXEJAMRPA-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.18
Rot. Bonds5

About 4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (PubChem CID 91837844) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
PubChem CID91837844
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESO=C1CCCN1CCN1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1
InChIInChI=1S/C20H25N5O2/c26-18-15-17(20(22-21-18)16-5-2-1-3-6-16)24-12-9-23(10-13-24)11-14-25-8-4-7-19(25)27/h1-3,5-6,15H,4,7-14H2,(H,21,26)
InChIKeyKTMSPSXEJAMRPA-UHFFFAOYSA-N
XLogP1.18
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (CID 91837844) is 4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is O=C1CCCN1CCN1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1.
What is the InChIKey of 4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The InChIKey is KTMSPSXEJAMRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-18-15-17(20(22-21-18)16-5-2-1-3-6-16)24-12-9-23(10-13-24)11-14-25-8-4-7-19(25)27/h1-3,5-6,15H,4,7-14H2,(H,21,26).
What are the key properties of 4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one has a molecular weight of 367.45 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 91837844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).