4-ethoxy-2-methyl-5-(propylamino)pyridazin-3-one

C10H17N3O2 — CID 12550753

IUPAC4-ethoxy-2-methyl-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(C)c(=O)c1OCC
InChIInChI=1S/C10H17N3O2/c1-4-6-11-8-7-12-13(3)10(14)9(8)15-5-2/h7,11H,4-6H2,1-3H3
InChIKeyYHCQKZNYTUDQIY-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.00
Rot. Bonds5

About 4-ethoxy-2-methyl-5-(propylamino)pyridazin-3-one

4-ethoxy-2-methyl-5-(propylamino)pyridazin-3-one (PubChem CID 12550753) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-ethoxy-2-methyl-5-(propylamino)pyridazin-3-one
PubChem CID12550753
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-ethoxy-2-methyl-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(C)c(=O)c1OCC
InChIInChI=1S/C10H17N3O2/c1-4-6-11-8-7-12-13(3)10(14)9(8)15-5-2/h7,11H,4-6H2,1-3H3
InChIKeyYHCQKZNYTUDQIY-UHFFFAOYSA-N
XLogP1.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-5-(propylamino)pyridazin-3-one?
The IUPAC name of 4-ethoxy-2-methyl-5-(propylamino)pyridazin-3-one (CID 12550753) is 4-ethoxy-2-methyl-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 4-ethoxy-2-methyl-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 4-ethoxy-2-methyl-5-(propylamino)pyridazin-3-one is CCCNc1cnn(C)c(=O)c1OCC.
What is the InChIKey of 4-ethoxy-2-methyl-5-(propylamino)pyridazin-3-one?
The InChIKey is YHCQKZNYTUDQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-6-11-8-7-12-13(3)10(14)9(8)15-5-2/h7,11H,4-6H2,1-3H3.
What are the key properties of 4-ethoxy-2-methyl-5-(propylamino)pyridazin-3-one?
4-ethoxy-2-methyl-5-(propylamino)pyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 12550753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).