4-chloro-2-phenyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one

C20H19ClN4O — CID 1185321

IUPAC4-chloro-2-phenyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(c3ccccc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C20H19ClN4O/c21-19-18(15-22-25(20(19)26)17-9-5-2-6-10-17)24-13-11-23(12-14-24)16-7-3-1-4-8-16/h1-10,15H,11-14H2
InChIKeyKHEHIUSBBMGFEX-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.21
Rot. Bonds3

About 4-chloro-2-phenyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one

4-chloro-2-phenyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one (PubChem CID 1185321) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-phenyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one
PubChem CID1185321
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name4-chloro-2-phenyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(c3ccccc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C20H19ClN4O/c21-19-18(15-22-25(20(19)26)17-9-5-2-6-10-17)24-13-11-23(12-14-24)16-7-3-1-4-8-16/h1-10,15H,11-14H2
InChIKeyKHEHIUSBBMGFEX-UHFFFAOYSA-N
XLogP3.21
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-phenyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one (CID 1185321) is 4-chloro-2-phenyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-phenyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-phenyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one is O=c1c(Cl)c(N2CCN(c3ccccc3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-2-phenyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is KHEHIUSBBMGFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-19-18(15-22-25(20(19)26)17-9-5-2-6-10-17)24-13-11-23(12-14-24)16-7-3-1-4-8-16/h1-10,15H,11-14H2.
What are the key properties of 4-chloro-2-phenyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one?
4-chloro-2-phenyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 366.85 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 1185321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).