5-(2-aminoethoxy)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one

C12H19N3O3 — CID 103222832

IUPAC5-(2-aminoethoxy)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
SMILESNCCOc1cnn(CCC2CCCO2)c(=O)c1
InChIInChI=1S/C12H19N3O3/c13-4-7-18-11-8-12(16)15(14-9-11)5-3-10-2-1-6-17-10/h8-10H,1-7,13H2
InChIKeyZANDNXUTIXXQME-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.15
Rot. Bonds6

About 5-(2-aminoethoxy)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one

5-(2-aminoethoxy)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one (PubChem CID 103222832) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
PubChem CID103222832
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-(2-aminoethoxy)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
SMILESNCCOc1cnn(CCC2CCCO2)c(=O)c1
InChIInChI=1S/C12H19N3O3/c13-4-7-18-11-8-12(16)15(14-9-11)5-3-10-2-1-6-17-10/h8-10H,1-7,13H2
InChIKeyZANDNXUTIXXQME-UHFFFAOYSA-N
XLogP0.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Amino-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
CID 103218369
5-(Methylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
CID 103218686
2-[2-(Oxolan-2-yl)ethyl]-5-(propylamino)pyridazin-3-one
CID 103220303
5-(2-Aminoethoxy)-2-nonylpyridazin-3-one
CID 103222643
5-(2-Aminoethoxy)-2-heptylpyridazin-3-one
CID 103222644
5-(2-Aminoethoxy)-2-hexylpyridazin-3-one
CID 103222645
5-(2-Aminoethoxy)-2-(5-hydroxypentyl)pyridazin-3-one
CID 103222668
5-(2-Aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one
CID 103222678
5-(2-Aminoethoxy)-2-(3-methoxypropyl)pyridazin-3-one
CID 103222681
5-(2-Aminoethoxy)-2-octylpyridazin-3-one
CID 103222682
5-(2-Aminoethoxy)-2-decylpyridazin-3-one
CID 103222722
5-(2-Aminoethoxy)-2-butylpyridazin-3-one
CID 103222744

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one (CID 103222832) is 5-(2-aminoethoxy)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one is NCCOc1cnn(CCC2CCCO2)c(=O)c1.
What is the InChIKey of 5-(2-aminoethoxy)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
The InChIKey is ZANDNXUTIXXQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c13-4-7-18-11-8-12(16)15(14-9-11)5-3-10-2-1-6-17-10/h8-10H,1-7,13H2.
What are the key properties of 5-(2-aminoethoxy)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
5-(2-aminoethoxy)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one has a molecular weight of 253.30 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 103222832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).