4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one

C9H11N3O2 — CID 168664190

IUPAC4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccnnc1
InChIInChI=1S/C9H11N3O2/c13-6-7-3-9(14)12(5-7)8-1-2-10-11-4-8/h1-2,4,7,13H,3,5-6H2
InChIKeyGGOGOAXCJKMBRZ-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.18
Rot. Bonds2

About 4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one

4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one (PubChem CID 168664190) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
PubChem CID168664190
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccnnc1
InChIInChI=1S/C9H11N3O2/c13-6-7-3-9(14)12(5-7)8-1-2-10-11-4-8/h1-2,4,7,13H,3,5-6H2
InChIKeyGGOGOAXCJKMBRZ-UHFFFAOYSA-N
XLogP-0.18
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridazin-4-yl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672252
S-[(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methyl] ethanethioate
CID 168668923
1-(6-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663597
1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663955
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677760
4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
CID 168662722
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 168663581
1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one
CID 168710654
4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
CID 168663596
1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664025

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one (CID 168664190) is 4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one is O=C1CC(CO)CN1c1ccnnc1.
What is the InChIKey of 4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one?
The InChIKey is GGOGOAXCJKMBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-6-7-3-9(14)12(5-7)8-1-2-10-11-4-8/h1-2,4,7,13H,3,5-6H2.
What are the key properties of 4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one?
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one has a molecular weight of 193.21 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one is sourced from PubChem (CID 168664190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).