2-(3-methoxy-6-oxopyridazin-1-yl)-N-methylacetamide

C8H11N3O3 — CID 132587184

IUPAC2-(3-methoxy-6-oxopyridazin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C8H11N3O3/c1-9-6(12)5-11-8(13)4-3-7(10-11)14-2/h3-4H,5H2,1-2H3,(H,9,12)
InChIKeyOEZADGWRKIDCNZ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.00
Rot. Bonds3

About 2-(3-methoxy-6-oxopyridazin-1-yl)-N-methylacetamide

2-(3-methoxy-6-oxopyridazin-1-yl)-N-methylacetamide (PubChem CID 132587184) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(3-methoxy-6-oxopyridazin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-methoxy-6-oxopyridazin-1-yl)-N-methylacetamide
PubChem CID132587184
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(3-methoxy-6-oxopyridazin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C8H11N3O3/c1-9-6(12)5-11-8(13)4-3-7(10-11)14-2/h3-4H,5H2,1-2H3,(H,9,12)
InChIKeyOEZADGWRKIDCNZ-UHFFFAOYSA-N
XLogP-1.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-6-oxopyridazin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(3-methoxy-6-oxopyridazin-1-yl)-N-methylacetamide (CID 132587184) is 2-(3-methoxy-6-oxopyridazin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3-methoxy-6-oxopyridazin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(3-methoxy-6-oxopyridazin-1-yl)-N-methylacetamide is CNC(=O)Cn1nc(OC)ccc1=O.
What is the InChIKey of 2-(3-methoxy-6-oxopyridazin-1-yl)-N-methylacetamide?
The InChIKey is OEZADGWRKIDCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-9-6(12)5-11-8(13)4-3-7(10-11)14-2/h3-4H,5H2,1-2H3,(H,9,12).
What are the key properties of 2-(3-methoxy-6-oxopyridazin-1-yl)-N-methylacetamide?
2-(3-methoxy-6-oxopyridazin-1-yl)-N-methylacetamide has a molecular weight of 197.19 g/mol, XLogP of -1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-6-oxopyridazin-1-yl)-N-methylacetamide is sourced from PubChem (CID 132587184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).