2-(3-methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one

C12H17N3O4 — CID 107507887

IUPAC2-(3-methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one
SMILESCOCC(=O)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H17N3O4/c1-18-9-11(16)8-15-12(17)6-10(7-13-15)14-2-4-19-5-3-14/h6-7H,2-5,8-9H2,1H3
InChIKeyAQSNCGOWJFJFBK-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.70
Rot. Bonds5

About 2-(3-methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one

2-(3-methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one (PubChem CID 107507887) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(3-methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one
PubChem CID107507887
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-(3-methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one
SMILESCOCC(=O)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H17N3O4/c1-18-9-11(16)8-15-12(17)6-10(7-13-15)14-2-4-19-5-3-14/h6-7H,2-5,8-9H2,1H3
InChIKeyAQSNCGOWJFJFBK-UHFFFAOYSA-N
XLogP-0.70
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(3-methoxy-2-oxopropyl)-5-morpholin-4-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 2-(3-methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-(3-methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one (CID 107507887) is 2-(3-methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-(3-methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-(3-methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one is COCC(=O)Cn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-(3-methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is AQSNCGOWJFJFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-18-9-11(16)8-15-12(17)6-10(7-13-15)14-2-4-19-5-3-14/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 2-(3-methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one?
2-(3-methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 267.28 g/mol, XLogP of -0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 107507887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).