2-benzyl-4-chloro-5-(4-methylpiperazin-1-yl)pyridazin-3-one

C16H19ClN4O — CID 17478658

IUPAC2-benzyl-4-chloro-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C16H19ClN4O/c1-19-7-9-20(10-8-19)14-11-18-21(16(22)15(14)17)12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3
InChIKeyBROZAMFAPYGCIZ-UHFFFAOYSA-N
MW318.81 g/mol
LogP1.70
Rot. Bonds3

About 2-benzyl-4-chloro-5-(4-methylpiperazin-1-yl)pyridazin-3-one

2-benzyl-4-chloro-5-(4-methylpiperazin-1-yl)pyridazin-3-one (PubChem CID 17478658) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-benzyl-4-chloro-5-(4-methylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-chloro-5-(4-methylpiperazin-1-yl)pyridazin-3-one
PubChem CID17478658
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-benzyl-4-chloro-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C16H19ClN4O/c1-19-7-9-20(10-8-19)14-11-18-21(16(22)15(14)17)12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3
InChIKeyBROZAMFAPYGCIZ-UHFFFAOYSA-N
XLogP1.70
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chloro-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-benzyl-4-chloro-5-(4-methylpiperazin-1-yl)pyridazin-3-one (CID 17478658) is 2-benzyl-4-chloro-5-(4-methylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-chloro-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-4-chloro-5-(4-methylpiperazin-1-yl)pyridazin-3-one is CN1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)CC1.
What is the InChIKey of 2-benzyl-4-chloro-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is BROZAMFAPYGCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-19-7-9-20(10-8-19)14-11-18-21(16(22)15(14)17)12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 2-benzyl-4-chloro-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
2-benzyl-4-chloro-5-(4-methylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 318.81 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-5-(4-methylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 17478658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).