2-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one

C10H16N4O — CID 23018256

IUPAC2-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one
SMILESCN1CCN(Cn2ncccc2=O)CC1
InChIInChI=1S/C10H16N4O/c1-12-5-7-13(8-6-12)9-14-10(15)3-2-4-11-14/h2-4H,5-9H2,1H3
InChIKeyFCJHPRMIWNBXEP-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.55
Rot. Bonds2

About 2-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one

2-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one (PubChem CID 23018256) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one
PubChem CID23018256
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one
SMILESCN1CCN(Cn2ncccc2=O)CC1
InChIInChI=1S/C10H16N4O/c1-12-5-7-13(8-6-12)9-14-10(15)3-2-4-11-14/h2-4H,5-9H2,1H3
InChIKeyFCJHPRMIWNBXEP-UHFFFAOYSA-N
XLogP-0.55
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 45548890
2-(Piperazin-1-ylmethyl)pyridazin-3-one
CID 67060822
Butyl 4-[(6-oxopyridazin-1-yl)methyl]piperazine-1-carboxylate
CID 67974460
Tert-butyl 4-[(6-oxopyridazin-1-yl)methyl]piperazine-1-carboxylate
CID 67986535
2-(1-Piperazin-1-ylprop-2-enyl)pyridazin-3-one
CID 69609687
2-[3-(4-Methylpiperazin-1-yl)propyl]pyridazin-3-one
CID 142677549
2-(2-(4-ethylpiperazin-1-yl)-2-oxoethyl)pyridazin-3(2H)-one
CID 45548754
2-(2-(4-acetylpiperazin-1-yl)-2-oxoethyl)pyridazin-3(2H)-one
CID 45548853
2-{2-[4-(2-Methylpropyl)piperazin-1-yl]ethyl}-2,3-dihydropyridazin-3-one
CID 126913372

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one (CID 23018256) is 2-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one is CN1CCN(Cn2ncccc2=O)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one?
The InChIKey is FCJHPRMIWNBXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-12-5-7-13(8-6-12)9-14-10(15)3-2-4-11-14/h2-4H,5-9H2,1H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one?
2-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one has a molecular weight of 208.26 g/mol, XLogP of -0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 23018256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).