6-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one

C11H17N3O2 — CID 10082326

IUPAC6-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCCOc1nn(C)c(=O)cc1N1CCCC1
InChIInChI=1S/C11H17N3O2/c1-3-16-11-9(14-6-4-5-7-14)8-10(15)13(2)12-11/h8H,3-7H2,1-2H3
InChIKeyFRNRYNVNOSJVEJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.78
Rot. Bonds3

About 6-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one

6-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 10082326) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name6-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID10082326
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCCOc1nn(C)c(=O)cc1N1CCCC1
InChIInChI=1S/C11H17N3O2/c1-3-16-11-9(14-6-4-5-7-14)8-10(15)13(2)12-11/h8H,3-7H2,1-2H3
InChIKeyFRNRYNVNOSJVEJ-UHFFFAOYSA-N
XLogP0.78
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
CID 10331817
methyl 4,5-diethoxy-2-pyrrolidin-1-ylbenzoate
CID 168515148
2-methyl-6-pyrrolidin-1-ylpyridazin-3-one
CID 130616620
1-(2-ethoxy-5-iodophenyl)pyrrolidine
CID 168515191
4,5-diethoxy-2-methyl-1,2,4-triazol-3-one
CID 22973876
5-chloro-2-ethoxy-4-pyrrolidin-1-ylbenzoic acid
CID 168515788
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 2469905
5-(2-ethoxy-3-pyridinyl)-1-propyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine
CID 142608448
2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 58336216
1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine
CID 86233327
6,7-diethoxy-3-pyrrolidin-1-ylisoquinoline
CID 942846
6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 7660164

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 6-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one (CID 10082326) is 6-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 6-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 6-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one is CCOc1nn(C)c(=O)cc1N1CCCC1.
What is the InChIKey of 6-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is FRNRYNVNOSJVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-16-11-9(14-6-4-5-7-14)8-10(15)13(2)12-11/h8H,3-7H2,1-2H3.
What are the key properties of 6-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
6-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 10082326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).