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

C13H22N4O2 — CID 114396453

IUPAC2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCC(CO)Cn1ncc(N2CCN(C)CC2)cc1=O
InChIInChI=1S/C13H22N4O2/c1-11(10-18)9-17-13(19)7-12(8-14-17)16-5-3-15(2)4-6-16/h7-8,11,18H,3-6,9-10H2,1-2H3
InChIKeyUWGLKOREHDXUID-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.38
Rot. Bonds4

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

2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one (PubChem CID 114396453) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
PubChem CID114396453
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCC(CO)Cn1ncc(N2CCN(C)CC2)cc1=O
InChIInChI=1S/C13H22N4O2/c1-11(10-18)9-17-13(19)7-12(8-14-17)16-5-3-15(2)4-6-16/h7-8,11,18H,3-6,9-10H2,1-2H3
InChIKeyUWGLKOREHDXUID-UHFFFAOYSA-N
XLogP-0.38
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methylpiperazin-1-yl)-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114398963
2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 114396617
2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114396424
5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one
CID 114396148
2-(4-chlorobutyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114394284
2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114394736
4-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]butanenitrile
CID 114395673
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396791
2-(2-methyl-3-sulfanylpropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114398865
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114396804
2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394668
5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103221159

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one (CID 114396453) is 2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one is CC(CO)Cn1ncc(N2CCN(C)CC2)cc1=O.
What is the InChIKey of 2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is UWGLKOREHDXUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-11(10-18)9-17-13(19)7-12(8-14-17)16-5-3-15(2)4-6-16/h7-8,11,18H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 266.34 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 114396453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).