4-(4-benzylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one

C15H17ClN4O — CID 734445

IUPAC4-(4-benzylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(Cc3ccccc3)CC2)c1Cl
InChIInChI=1S/C15H17ClN4O/c16-14-13(10-17-18-15(14)21)20-8-6-19(7-9-20)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,18,21)
InChIKeyTWXSQWIBFLBSNW-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.75
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one

4-(4-benzylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one (PubChem CID 734445) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one
PubChem CID734445
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name4-(4-benzylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(Cc3ccccc3)CC2)c1Cl
InChIInChI=1S/C15H17ClN4O/c16-14-13(10-17-18-15(14)21)20-8-6-19(7-9-20)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,18,21)
InChIKeyTWXSQWIBFLBSNW-UHFFFAOYSA-N
XLogP1.75
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.75
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)-5-chloro-1H-pyridazin-6-one?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one (CID 734445) is 4-(4-benzylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCN(Cc3ccccc3)CC2)c1Cl.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one?
The InChIKey is TWXSQWIBFLBSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-14-13(10-17-18-15(14)21)20-8-6-19(7-9-20)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,18,21).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one?
4-(4-benzylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one has a molecular weight of 304.78 g/mol, XLogP of 1.75, 3 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)-5-chloro-1H-pyridazin-6-one is sourced from PubChem (CID 734445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).