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

C8H13N3O2 — CID 3052749

IUPAC4-ethoxy-2-methyl-5-(methylamino)pyridazin-3-one
SMILESCCOc1c(NC)cnn(C)c1=O
InChIInChI=1S/C8H13N3O2/c1-4-13-7-6(9-2)5-10-11(3)8(7)12/h5,9H,4H2,1-3H3
InChIKeyONHMCGKGUBQDQV-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.22
Rot. Bonds3

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

4-ethoxy-2-methyl-5-(methylamino)pyridazin-3-one (PubChem CID 3052749) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-ethoxy-2-methyl-5-(methylamino)pyridazin-3-one
PubChem CID3052749
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-ethoxy-2-methyl-5-(methylamino)pyridazin-3-one
SMILESCCOc1c(NC)cnn(C)c1=O
InChIInChI=1S/C8H13N3O2/c1-4-13-7-6(9-2)5-10-11(3)8(7)12/h5,9H,4H2,1-3H3
InChIKeyONHMCGKGUBQDQV-UHFFFAOYSA-N
XLogP0.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-2-methyl-5-(methylamino)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-5-(methylamino)pyridazin-3-one?
The IUPAC name of 4-ethoxy-2-methyl-5-(methylamino)pyridazin-3-one (CID 3052749) is 4-ethoxy-2-methyl-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 4-ethoxy-2-methyl-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 4-ethoxy-2-methyl-5-(methylamino)pyridazin-3-one is CCOc1c(NC)cnn(C)c1=O.
What is the InChIKey of 4-ethoxy-2-methyl-5-(methylamino)pyridazin-3-one?
The InChIKey is ONHMCGKGUBQDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4-13-7-6(9-2)5-10-11(3)8(7)12/h5,9H,4H2,1-3H3.
What are the key properties of 4-ethoxy-2-methyl-5-(methylamino)pyridazin-3-one?
4-ethoxy-2-methyl-5-(methylamino)pyridazin-3-one has a molecular weight of 183.21 g/mol, XLogP of 0.22, 3 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-(methylamino)pyridazin-3-one is sourced from PubChem (CID 3052749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).