5-(2-aminoethoxy)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one

C13H22N4O2 — CID 103222698

IUPAC5-(2-aminoethoxy)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
SMILESNCCOc1cnn(CCCN2CCCC2)c(=O)c1
InChIInChI=1S/C13H22N4O2/c14-4-9-19-12-10-13(18)17(15-11-12)8-3-7-16-5-1-2-6-16/h10-11H,1-9,14H2
InChIKeyYEZIYUSYRKHMGZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.07
Rot. Bonds7

About 5-(2-aminoethoxy)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one

5-(2-aminoethoxy)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one (PubChem CID 103222698) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
PubChem CID103222698
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-(2-aminoethoxy)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
SMILESNCCOc1cnn(CCCN2CCCC2)c(=O)c1
InChIInChI=1S/C13H22N4O2/c14-4-9-19-12-10-13(18)17(15-11-12)8-3-7-16-5-1-2-6-16/h10-11H,1-9,14H2
InChIKeyYEZIYUSYRKHMGZ-UHFFFAOYSA-N
XLogP0.07
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Aminoethoxy)-2-heptylpyridazin-3-one
CID 103222644
5-(2-Aminoethoxy)-2-hexylpyridazin-3-one
CID 103222645
5-(2-Aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one
CID 103222646
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide
CID 103222647
2-[4-(2-Aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile
CID 103222651
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide
CID 103222655
5-(2-Aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one
CID 103222678
5-(2-Aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 103222680
5-(2-Aminoethoxy)-2-(3-methoxypropyl)pyridazin-3-one
CID 103222681
5-(2-Aminoethoxy)-2-propylpyridazin-3-one
CID 103222684
5-(2-Aminoethoxy)-2-(2-methylbutyl)pyridazin-3-one
CID 103222694
4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methylbutanamide
CID 103222699

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one (CID 103222698) is 5-(2-aminoethoxy)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one is NCCOc1cnn(CCCN2CCCC2)c(=O)c1.
What is the InChIKey of 5-(2-aminoethoxy)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The InChIKey is YEZIYUSYRKHMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c14-4-9-19-12-10-13(18)17(15-11-12)8-3-7-16-5-1-2-6-16/h10-11H,1-9,14H2.
What are the key properties of 5-(2-aminoethoxy)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
5-(2-aminoethoxy)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one has a molecular weight of 266.34 g/mol, XLogP of 0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one is sourced from PubChem (CID 103222698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).