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

C20H20N4O — CID 5158500

IUPAC3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one
SMILESO=c1cc(N2CCN(c3ccccc3)CC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H20N4O/c25-19-15-18(20(22-21-19)16-7-3-1-4-8-16)24-13-11-23(12-14-24)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,21,25)
InChIKeyWPHXULRIRWQNDM-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.76
Rot. Bonds3

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

3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one (PubChem CID 5158500) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one
PubChem CID5158500
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one
SMILESO=c1cc(N2CCN(c3ccccc3)CC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H20N4O/c25-19-15-18(20(22-21-19)16-7-3-1-4-8-16)24-13-11-23(12-14-24)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,21,25)
InChIKeyWPHXULRIRWQNDM-UHFFFAOYSA-N
XLogP2.76
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one (CID 5158500) is 3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one is O=c1cc(N2CCN(c3ccccc3)CC2)c(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one?
The InChIKey is WPHXULRIRWQNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-19-15-18(20(22-21-19)16-7-3-1-4-8-16)24-13-11-23(12-14-24)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,21,25).
What are the key properties of 3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one?
3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one has a molecular weight of 332.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 5158500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).