5-(2-aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one

C8H13N3O3 — CID 103222659

IUPAC5-(2-aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one
SMILESNCCOc1cnn(CCO)c(=O)c1
InChIInChI=1S/C8H13N3O3/c9-1-4-14-7-5-8(13)11(2-3-12)10-6-7/h5-6,12H,1-4,9H2
InChIKeyYMIXXDUJDWHUNU-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.43
Rot. Bonds5

About 5-(2-aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one

5-(2-aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 103222659) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID103222659
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name5-(2-aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one
SMILESNCCOc1cnn(CCO)c(=O)c1
InChIInChI=1S/C8H13N3O3/c9-1-4-14-7-5-8(13)11(2-3-12)10-6-7/h5-6,12H,1-4,9H2
InChIKeyYMIXXDUJDWHUNU-UHFFFAOYSA-N
XLogP-1.43
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103222873
5-(2-Aminopropoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223090
5-(3-Aminopropoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223299
2-(2-Ethoxyethyl)-5-hydroxypyridazin-3-one
CID 57059473
5-Hydroxy-2-(2-methoxyethyl)pyridazin-3-one
CID 57066440
2-(2-methoxy-ethyl)-5-methoxy-2H-pyridazin-3-one
CID 66865610
5-(2-Aminoethoxy)-2-methylpyridazin-3-one
CID 84075911
5-(2-Aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one
CID 103222646
2-[4-(2-Aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile
CID 103222651
5-(2-Aminoethoxy)-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 103222654
5-(2-Aminoethoxy)-2-(5-hydroxypentyl)pyridazin-3-one
CID 103222668
5-(2-Aminoethoxy)-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one
CID 103222669

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one (CID 103222659) is 5-(2-aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one is NCCOc1cnn(CCO)c(=O)c1.
What is the InChIKey of 5-(2-aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is YMIXXDUJDWHUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c9-1-4-14-7-5-8(13)11(2-3-12)10-6-7/h5-6,12H,1-4,9H2.
What are the key properties of 5-(2-aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one?
5-(2-aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 199.21 g/mol, XLogP of -1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 103222659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).