4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one

C15H14Cl2N4O — CID 134795454

IUPAC4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one
SMILESO=C1CN(Cc2ccc(Cl)cc2)CCN1c1ccc(Cl)nn1
InChIInChI=1S/C15H14Cl2N4O/c16-12-3-1-11(2-4-12)9-20-7-8-21(15(22)10-20)14-6-5-13(17)18-19-14/h1-6H,7-10H2
InChIKeyKRWQSBLZPWZFCJ-UHFFFAOYSA-N
MW337.21 g/mol
LogP2.63
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one

4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one (PubChem CID 134795454) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one
PubChem CID134795454
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one
SMILESO=C1CN(Cc2ccc(Cl)cc2)CCN1c1ccc(Cl)nn1
InChIInChI=1S/C15H14Cl2N4O/c16-12-3-1-11(2-4-12)9-20-7-8-21(15(22)10-20)14-6-5-13(17)18-19-14/h1-6H,7-10H2
InChIKeyKRWQSBLZPWZFCJ-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one (CID 134795454) is 4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one is O=C1CN(Cc2ccc(Cl)cc2)CCN1c1ccc(Cl)nn1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one?
The InChIKey is KRWQSBLZPWZFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c16-12-3-1-11(2-4-12)9-20-7-8-21(15(22)10-20)14-6-5-13(17)18-19-14/h1-6H,7-10H2.
What are the key properties of 4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one?
4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one has a molecular weight of 337.21 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one is sourced from PubChem (CID 134795454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).