3-(3-methoxy-6-oxopyridazin-1-yl)propanamide

C8H11N3O3 — CID 105062031

IUPAC3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
SMILESCOc1ccc(=O)n(CCC(N)=O)n1
InChIInChI=1S/C8H11N3O3/c1-14-7-2-3-8(13)11(10-7)5-4-6(9)12/h2-3H,4-5H2,1H3,(H2,9,12)
InChIKeyMDYRSPBDTLLLKG-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.87
Rot. Bonds4

About 3-(3-methoxy-6-oxopyridazin-1-yl)propanamide

3-(3-methoxy-6-oxopyridazin-1-yl)propanamide (PubChem CID 105062031) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(3-methoxy-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
PubChem CID105062031
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
SMILESCOc1ccc(=O)n(CCC(N)=O)n1
InChIInChI=1S/C8H11N3O3/c1-14-7-2-3-8(13)11(10-7)5-4-6(9)12/h2-3H,4-5H2,1H3,(H2,9,12)
InChIKeyMDYRSPBDTLLLKG-UHFFFAOYSA-N
XLogP-0.87
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-methoxy-6-oxopyridazin-1-yl)propanamide 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 3-(3-methoxy-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of 3-(3-methoxy-6-oxopyridazin-1-yl)propanamide (CID 105062031) is 3-(3-methoxy-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for 3-(3-methoxy-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for 3-(3-methoxy-6-oxopyridazin-1-yl)propanamide is COc1ccc(=O)n(CCC(N)=O)n1.
What is the InChIKey of 3-(3-methoxy-6-oxopyridazin-1-yl)propanamide?
The InChIKey is MDYRSPBDTLLLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-14-7-2-3-8(13)11(10-7)5-4-6(9)12/h2-3H,4-5H2,1H3,(H2,9,12).
What are the key properties of 3-(3-methoxy-6-oxopyridazin-1-yl)propanamide?
3-(3-methoxy-6-oxopyridazin-1-yl)propanamide has a molecular weight of 197.19 g/mol, XLogP of -0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 105062031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).