4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyridazin-6-one

C21H22N4O — CID 3286437

IUPAC4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(N2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H22N4O/c26-20-15-19(21(23-22-20)18-9-5-2-6-10-18)25-13-11-24(12-14-25)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2,(H,22,26)
InChIKeyZAKYFGVFBRJRCZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.76
Rot. Bonds4

About 4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyridazin-6-one

4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyridazin-6-one (PubChem CID 3286437) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyridazin-6-one
PubChem CID3286437
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(N2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H22N4O/c26-20-15-19(21(23-22-20)18-9-5-2-6-10-18)25-13-11-24(12-14-25)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2,(H,22,26)
InChIKeyZAKYFGVFBRJRCZ-UHFFFAOYSA-N
XLogP2.76
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyridazin-6-one (CID 3286437) is 4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyridazin-6-one is O=c1cc(N2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)n[nH]1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyridazin-6-one?
The InChIKey is ZAKYFGVFBRJRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-20-15-19(21(23-22-20)18-9-5-2-6-10-18)25-13-11-24(12-14-25)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2,(H,22,26).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyridazin-6-one?
4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyridazin-6-one has a molecular weight of 346.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 3286437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).