4-ethoxy-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one

C13H21N3O3 — CID 12550764

IUPAC4-ethoxy-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one
SMILESCCOc1c(N2CCOCC2)cnn(C(C)C)c1=O
InChIInChI=1S/C13H21N3O3/c1-4-19-12-11(15-5-7-18-8-6-15)9-14-16(10(2)3)13(12)17/h9-10H,4-8H2,1-3H3
InChIKeyQTNZHOSGYSGSBW-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.06
Rot. Bonds4

About 4-ethoxy-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one

4-ethoxy-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one (PubChem CID 12550764) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-ethoxy-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-ethoxy-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one
PubChem CID12550764
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-ethoxy-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one
SMILESCCOc1c(N2CCOCC2)cnn(C(C)C)c1=O
InChIInChI=1S/C13H21N3O3/c1-4-19-12-11(15-5-7-18-8-6-15)9-14-16(10(2)3)13(12)17/h9-10H,4-8H2,1-3H3
InChIKeyQTNZHOSGYSGSBW-UHFFFAOYSA-N
XLogP1.06
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-5-morpholin-4-yl-2-propan-2-ylpyridazin-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-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-ethoxy-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one (CID 12550764) is 4-ethoxy-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-ethoxy-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-ethoxy-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one is CCOc1c(N2CCOCC2)cnn(C(C)C)c1=O.
What is the InChIKey of 4-ethoxy-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one?
The InChIKey is QTNZHOSGYSGSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-19-12-11(15-5-7-18-8-6-15)9-14-16(10(2)3)13(12)17/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-ethoxy-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one?
4-ethoxy-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one has a molecular weight of 267.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 12550764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).