2-(2-hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one

C13H22N4O3 — CID 104920955

IUPAC2-(2-hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCOCC(O)Cn1ncc(N2CCN(C)CC2)cc1=O
InChIInChI=1S/C13H22N4O3/c1-15-3-5-16(6-4-15)11-7-13(19)17(14-8-11)9-12(18)10-20-2/h7-8,12,18H,3-6,9-10H2,1-2H3
InChIKeyLDMGCSFROMDCSF-UHFFFAOYSA-N
MW282.34 g/mol
LogP-1.00
Rot. Bonds5

About 2-(2-hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one

2-(2-hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one (PubChem CID 104920955) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
PubChem CID104920955
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-(2-hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCOCC(O)Cn1ncc(N2CCN(C)CC2)cc1=O
InChIInChI=1S/C13H22N4O3/c1-15-3-5-16(6-4-15)11-7-13(19)17(14-8-11)9-12(18)10-20-2/h7-8,12,18H,3-6,9-10H2,1-2H3
InChIKeyLDMGCSFROMDCSF-UHFFFAOYSA-N
XLogP-1.00
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(2-hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one (CID 104920955) is 2-(2-hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one is COCC(O)Cn1ncc(N2CCN(C)CC2)cc1=O.
What is the InChIKey of 2-(2-hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is LDMGCSFROMDCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-15-3-5-16(6-4-15)11-7-13(19)17(14-8-11)9-12(18)10-20-2/h7-8,12,18H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(2-hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
2-(2-hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 282.34 g/mol, XLogP of -1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 104920955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).