2-(2-methoxypropyl)-5-(propylamino)pyridazin-3-one

C11H19N3O2 — CID 103220384

IUPAC2-(2-methoxypropyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CC(C)OC)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-4-5-12-10-6-11(15)14(13-7-10)8-9(2)16-3/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyMNXUNZREFJSSRE-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.10
Rot. Bonds6

About 2-(2-methoxypropyl)-5-(propylamino)pyridazin-3-one

2-(2-methoxypropyl)-5-(propylamino)pyridazin-3-one (PubChem CID 103220384) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2-methoxypropyl)-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-methoxypropyl)-5-(propylamino)pyridazin-3-one
PubChem CID103220384
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(2-methoxypropyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CC(C)OC)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-4-5-12-10-6-11(15)14(13-7-10)8-9(2)16-3/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyMNXUNZREFJSSRE-UHFFFAOYSA-N
XLogP1.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropyl)-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-(2-methoxypropyl)-5-(propylamino)pyridazin-3-one (CID 103220384) is 2-(2-methoxypropyl)-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2-methoxypropyl)-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-(2-methoxypropyl)-5-(propylamino)pyridazin-3-one is CCCNc1cnn(CC(C)OC)c(=O)c1.
What is the InChIKey of 2-(2-methoxypropyl)-5-(propylamino)pyridazin-3-one?
The InChIKey is MNXUNZREFJSSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-5-12-10-6-11(15)14(13-7-10)8-9(2)16-3/h6-7,9,12H,4-5,8H2,1-3H3.
What are the key properties of 2-(2-methoxypropyl)-5-(propylamino)pyridazin-3-one?
2-(2-methoxypropyl)-5-(propylamino)pyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropyl)-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).