2-(2,3-dihydroxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one

C12H20N4O3 — CID 56897302

IUPAC2-(2,3-dihydroxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cnn(CC(O)CO)c(=O)c2)CC1
InChIInChI=1S/C12H20N4O3/c1-14-2-4-15(5-3-14)10-6-12(19)16(13-7-10)8-11(18)9-17/h6-7,11,17-18H,2-5,8-9H2,1H3
InChIKeyDMSAZZLVEMKDNG-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.65
Rot. Bonds4

About 2-(2,3-dihydroxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one

2-(2,3-dihydroxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one (PubChem CID 56897302) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2,3-dihydroxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
PubChem CID56897302
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-(2,3-dihydroxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cnn(CC(O)CO)c(=O)c2)CC1
InChIInChI=1S/C12H20N4O3/c1-14-2-4-15(5-3-14)10-6-12(19)16(13-7-10)8-11(18)9-17/h6-7,11,17-18H,2-5,8-9H2,1H3
InChIKeyDMSAZZLVEMKDNG-UHFFFAOYSA-N
XLogP-1.65
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2,3-dihydroxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2S)-2,3-dihydroxypropyl]-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 56889724
2-(2,3-Dihydroxypropyl)-5-piperidin-1-ylpyridazin-3-one
CID 76424722
5-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-2-methylpyridazin-3(2H)-one
CID 91836971
2-(2,3-Dihydroxypropyl)-5-(propylamino)pyridazin-3-one
CID 103220205
5-(2-Aminoethylamino)-2-(2,3-dihydroxypropyl)pyridazin-3-one
CID 103221147
5-[2-Aminoethyl(methyl)amino]-2-(2-hydroxypropyl)pyridazin-3-one
CID 103223473
2-(2,3-Dihydroxypropyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223640
5-(Dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
CID 104920952
2-(2-Hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one
CID 104920953
2-(2-Hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one
CID 104920954
2-(2-Hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 104920955
2-(2-Hydroxy-3-methoxypropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 104920956

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(2,3-dihydroxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one (CID 56897302) is 2-(2,3-dihydroxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(2,3-dihydroxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(2,3-dihydroxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one is CN1CCN(c2cnn(CC(O)CO)c(=O)c2)CC1.
What is the InChIKey of 2-(2,3-dihydroxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is DMSAZZLVEMKDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-14-2-4-15(5-3-14)10-6-12(19)16(13-7-10)8-11(18)9-17/h6-7,11,17-18H,2-5,8-9H2,1H3.
What are the key properties of 2-(2,3-dihydroxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
2-(2,3-dihydroxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 268.32 g/mol, XLogP of -1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 56897302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).