2-benzyl-5-(4-cyclopentylpiperazin-1-yl)pyridazin-3-one

C20H26N4O — CID 71873749

IUPAC2-benzyl-5-(4-cyclopentylpiperazin-1-yl)pyridazin-3-one
SMILESO=c1cc(N2CCN(C3CCCC3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C20H26N4O/c25-20-14-19(15-21-24(20)16-17-6-2-1-3-7-17)23-12-10-22(11-13-23)18-8-4-5-9-18/h1-3,6-7,14-15,18H,4-5,8-13,16H2
InChIKeyOPCXFNRLAITLBQ-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.36
Rot. Bonds4

About 2-benzyl-5-(4-cyclopentylpiperazin-1-yl)pyridazin-3-one

2-benzyl-5-(4-cyclopentylpiperazin-1-yl)pyridazin-3-one (PubChem CID 71873749) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-benzyl-5-(4-cyclopentylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-5-(4-cyclopentylpiperazin-1-yl)pyridazin-3-one
PubChem CID71873749
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-benzyl-5-(4-cyclopentylpiperazin-1-yl)pyridazin-3-one
SMILESO=c1cc(N2CCN(C3CCCC3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C20H26N4O/c25-20-14-19(15-21-24(20)16-17-6-2-1-3-7-17)23-12-10-22(11-13-23)18-8-4-5-9-18/h1-3,6-7,14-15,18H,4-5,8-13,16H2
InChIKeyOPCXFNRLAITLBQ-UHFFFAOYSA-N
XLogP2.36
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(4-cyclopentylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-benzyl-5-(4-cyclopentylpiperazin-1-yl)pyridazin-3-one (CID 71873749) is 2-benzyl-5-(4-cyclopentylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-5-(4-cyclopentylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-5-(4-cyclopentylpiperazin-1-yl)pyridazin-3-one is O=c1cc(N2CCN(C3CCCC3)CC2)cnn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-(4-cyclopentylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is OPCXFNRLAITLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20-14-19(15-21-24(20)16-17-6-2-1-3-7-17)23-12-10-22(11-13-23)18-8-4-5-9-18/h1-3,6-7,14-15,18H,4-5,8-13,16H2.
What are the key properties of 2-benzyl-5-(4-cyclopentylpiperazin-1-yl)pyridazin-3-one?
2-benzyl-5-(4-cyclopentylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 338.46 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(4-cyclopentylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 71873749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).