4,6-diphenyl-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3-one

C27H26N4O — CID 14492475

IUPAC4,6-diphenyl-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3-one
SMILESO=c1c(-c2ccccc2)cc(-c2ccccc2)nn1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C27H26N4O/c32-27-25(22-10-4-1-5-11-22)20-26(23-12-6-2-7-13-23)28-31(27)21-29-16-18-30(19-17-29)24-14-8-3-9-15-24/h1-15,20H,16-19,21H2
InChIKeyZZJIDHTXIRNVHY-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.36
Rot. Bonds5

About 4,6-diphenyl-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3-one

4,6-diphenyl-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3-one (PubChem CID 14492475) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is 4,6-diphenyl-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,6-diphenyl-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3-one
PubChem CID14492475
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name4,6-diphenyl-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3-one
SMILESO=c1c(-c2ccccc2)cc(-c2ccccc2)nn1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C27H26N4O/c32-27-25(22-10-4-1-5-11-22)20-26(23-12-6-2-7-13-23)28-31(27)21-29-16-18-30(19-17-29)24-14-8-3-9-15-24/h1-15,20H,16-19,21H2
InChIKeyZZJIDHTXIRNVHY-UHFFFAOYSA-N
XLogP4.36
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3-one?
The IUPAC name of 4,6-diphenyl-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3-one (CID 14492475) is 4,6-diphenyl-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 4,6-diphenyl-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3-one?
The canonical SMILES for 4,6-diphenyl-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3-one is O=c1c(-c2ccccc2)cc(-c2ccccc2)nn1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 4,6-diphenyl-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3-one?
The InChIKey is ZZJIDHTXIRNVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c32-27-25(22-10-4-1-5-11-22)20-26(23-12-6-2-7-13-23)28-31(27)21-29-16-18-30(19-17-29)24-14-8-3-9-15-24/h1-15,20H,16-19,21H2.
What are the key properties of 4,6-diphenyl-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3-one?
4,6-diphenyl-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3-one has a molecular weight of 422.53 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 14492475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).