5-(2-aminoethoxy)-2-octylpyridazin-3-one

C14H25N3O2 — CID 103222682

IUPAC5-(2-aminoethoxy)-2-octylpyridazin-3-one
SMILESCCCCCCCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C14H25N3O2/c1-2-3-4-5-6-7-9-17-14(18)11-13(12-16-17)19-10-8-15/h11-12H,2-10,15H2,1H3
InChIKeyOANYGWZAYAEQLF-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.94
Rot. Bonds10

About 5-(2-aminoethoxy)-2-octylpyridazin-3-one

5-(2-aminoethoxy)-2-octylpyridazin-3-one (PubChem CID 103222682) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-octylpyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-octylpyridazin-3-one
PubChem CID103222682
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name5-(2-aminoethoxy)-2-octylpyridazin-3-one
SMILESCCCCCCCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C14H25N3O2/c1-2-3-4-5-6-7-9-17-14(18)11-13(12-16-17)19-10-8-15/h11-12H,2-10,15H2,1H3
InChIKeyOANYGWZAYAEQLF-UHFFFAOYSA-N
XLogP1.94
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-octylpyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-octylpyridazin-3-one (CID 103222682) is 5-(2-aminoethoxy)-2-octylpyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-octylpyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-octylpyridazin-3-one is CCCCCCCCn1ncc(OCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethoxy)-2-octylpyridazin-3-one?
The InChIKey is OANYGWZAYAEQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-3-4-5-6-7-9-17-14(18)11-13(12-16-17)19-10-8-15/h11-12H,2-10,15H2,1H3.
What are the key properties of 5-(2-aminoethoxy)-2-octylpyridazin-3-one?
5-(2-aminoethoxy)-2-octylpyridazin-3-one has a molecular weight of 267.37 g/mol, XLogP of 1.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-octylpyridazin-3-one is sourced from PubChem (CID 103222682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).