5-(2-aminoethoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one

C12H19N3O3 — CID 103222827

IUPAC5-(2-aminoethoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESNCCOc1cnn(CC2CCOCC2)c(=O)c1
InChIInChI=1S/C12H19N3O3/c13-3-6-18-11-7-12(16)15(14-8-11)9-10-1-4-17-5-2-10/h7-8,10H,1-6,9,13H2
InChIKeySHWZZGRVDKPCTO-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.01
Rot. Bonds5

About 5-(2-aminoethoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one

5-(2-aminoethoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one (PubChem CID 103222827) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one
PubChem CID103222827
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-(2-aminoethoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESNCCOc1cnn(CC2CCOCC2)c(=O)c1
InChIInChI=1S/C12H19N3O3/c13-3-6-18-11-7-12(16)15(14-8-11)9-10-1-4-17-5-2-10/h7-8,10H,1-6,9,13H2
InChIKeySHWZZGRVDKPCTO-UHFFFAOYSA-N
XLogP0.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one (CID 103222827) is 5-(2-aminoethoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one is NCCOc1cnn(CC2CCOCC2)c(=O)c1.
What is the InChIKey of 5-(2-aminoethoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The InChIKey is SHWZZGRVDKPCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c13-3-6-18-11-7-12(16)15(14-8-11)9-10-1-4-17-5-2-10/h7-8,10H,1-6,9,13H2.
What are the key properties of 5-(2-aminoethoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one?
5-(2-aminoethoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one has a molecular weight of 253.30 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103222827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).