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

C10H17N3O3 — CID 103223050

IUPAC5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one
SMILESCC(N)COc1cnn(CC(C)O)c(=O)c1
InChIInChI=1S/C10H17N3O3/c1-7(11)6-16-9-3-10(15)13(12-4-9)5-8(2)14/h3-4,7-8,14H,5-6,11H2,1-2H3
InChIKeyNHEUNOIEUGNWJH-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.65
Rot. Bonds5

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

5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one (PubChem CID 103223050) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one
PubChem CID103223050
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one
SMILESCC(N)COc1cnn(CC(C)O)c(=O)c1
InChIInChI=1S/C10H17N3O3/c1-7(11)6-16-9-3-10(15)13(12-4-9)5-8(2)14/h3-4,7-8,14H,5-6,11H2,1-2H3
InChIKeyNHEUNOIEUGNWJH-UHFFFAOYSA-N
XLogP-0.65
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one (CID 103223050) is 5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one is CC(N)COc1cnn(CC(C)O)c(=O)c1.
What is the InChIKey of 5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one?
The InChIKey is NHEUNOIEUGNWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(11)6-16-9-3-10(15)13(12-4-9)5-8(2)14/h3-4,7-8,14H,5-6,11H2,1-2H3.
What are the key properties of 5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one?
5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one has a molecular weight of 227.26 g/mol, XLogP of -0.65, 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-hydroxypropyl)pyridazin-3-one is sourced from PubChem (CID 103223050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).