4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one

C9H13ClN4O — CID 5298668

IUPAC4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one
SMILESCn1ncc(N2CCNCC2)c(Cl)c1=O
InChIInChI=1S/C9H13ClN4O/c1-13-9(15)8(10)7(6-12-13)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3
InChIKeyCKVIKRRXSRYSMS-UHFFFAOYSA-N
MW228.68 g/mol
LogP-0.16
Rot. Bonds1

About 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one

4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one (PubChem CID 5298668) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one
PubChem CID5298668
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one
SMILESCn1ncc(N2CCNCC2)c(Cl)c1=O
InChIInChI=1S/C9H13ClN4O/c1-13-9(15)8(10)7(6-12-13)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3
InChIKeyCKVIKRRXSRYSMS-UHFFFAOYSA-N
XLogP-0.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one (CID 5298668) is 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one is Cn1ncc(N2CCNCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one?
The InChIKey is CKVIKRRXSRYSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-13-9(15)8(10)7(6-12-13)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one?
4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one has a molecular weight of 228.68 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 5298668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).