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

C9H15N3O3 — CID 103222909

IUPAC5-(2-aminopropoxy)-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCC(N)COc1cnn(CCO)c(=O)c1
InChIInChI=1S/C9H15N3O3/c1-7(10)6-15-8-4-9(14)12(2-3-13)11-5-8/h4-5,7,13H,2-3,6,10H2,1H3
InChIKeyAIYUXUDPWPHZHM-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.04
Rot. Bonds5

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

5-(2-aminopropoxy)-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 103222909) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-(2-aminopropoxy)-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminopropoxy)-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID103222909
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name5-(2-aminopropoxy)-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCC(N)COc1cnn(CCO)c(=O)c1
InChIInChI=1S/C9H15N3O3/c1-7(10)6-15-8-4-9(14)12(2-3-13)11-5-8/h4-5,7,13H,2-3,6,10H2,1H3
InChIKeyAIYUXUDPWPHZHM-UHFFFAOYSA-N
XLogP-1.04
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.04
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-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103223073
5-(2-Aminopropoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223090
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-hydroxyethyl)pyridazin-3-one
CID 103222659
2-[4-(2-Aminoethoxy)-6-oxopyridazin-1-yl]propanamide
CID 103222665
5-(2-Aminoethoxy)-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one
CID 103222669

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropoxy)-2-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminopropoxy)-2-(2-hydroxyethyl)pyridazin-3-one (CID 103222909) is 5-(2-aminopropoxy)-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminopropoxy)-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminopropoxy)-2-(2-hydroxyethyl)pyridazin-3-one is CC(N)COc1cnn(CCO)c(=O)c1.
What is the InChIKey of 5-(2-aminopropoxy)-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is AIYUXUDPWPHZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-7(10)6-15-8-4-9(14)12(2-3-13)11-5-8/h4-5,7,13H,2-3,6,10H2,1H3.
What are the key properties of 5-(2-aminopropoxy)-2-(2-hydroxyethyl)pyridazin-3-one?
5-(2-aminopropoxy)-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 213.24 g/mol, XLogP of -1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropoxy)-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 103222909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).