2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one

C12H17N3O2 — CID 114396028

IUPAC2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCC(=O)CCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C12H17N3O2/c1-10(16)4-7-15-12(17)8-11(9-13-15)14-5-2-3-6-14/h8-9H,2-7H2,1H3
InChIKeyMYRUDFBTGDZXJH-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.82
Rot. Bonds4

About 2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one

2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 114396028) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID114396028
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCC(=O)CCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C12H17N3O2/c1-10(16)4-7-15-12(17)8-11(9-13-15)14-5-2-3-6-14/h8-9H,2-7H2,1H3
InChIKeyMYRUDFBTGDZXJH-UHFFFAOYSA-N
XLogP0.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one
CID 114396148
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025
5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
CID 1479795
5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one
CID 114396319
2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202211
2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114396424
2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
CID 114396121
2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397054
2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 72921157
methyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate
CID 114393825

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one (CID 114396028) is 2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one is CC(=O)CCn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is MYRUDFBTGDZXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-10(16)4-7-15-12(17)8-11(9-13-15)14-5-2-3-6-14/h8-9H,2-7H2,1H3.
What are the key properties of 2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one?
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 235.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114396028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).