4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one

C9H14N4O — CID 54775541

IUPAC4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one
SMILESCN1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C9H14N4O/c1-12-2-4-13(5-3-12)8-6-9(14)11-10-7-8/h6-7H,2-5H2,1H3,(H,11,14)
InChIKeyDEZAHMPUTIRQDP-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.48
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one

4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one (PubChem CID 54775541) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one
PubChem CID54775541
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one
SMILESCN1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C9H14N4O/c1-12-2-4-13(5-3-12)8-6-9(14)11-10-7-8/h6-7H,2-5H2,1H3,(H,11,14)
InChIKeyDEZAHMPUTIRQDP-UHFFFAOYSA-N
XLogP-0.48
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one (CID 54775541) is 4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one is CN1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one?
The InChIKey is DEZAHMPUTIRQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-12-2-4-13(5-3-12)8-6-9(14)11-10-7-8/h6-7H,2-5H2,1H3,(H,11,14).
What are the key properties of 4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one?
4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one has a molecular weight of 194.24 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 54775541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).