2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide

C9H13N3O3 — CID 132587202

IUPAC2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
SMILESCOc1ccc(=O)n(CC(=O)N(C)C)n1
InChIInChI=1S/C9H13N3O3/c1-11(2)9(14)6-12-8(13)5-4-7(10-12)15-3/h4-5H,6H2,1-3H3
InChIKeyKMINVUIGJZFBPR-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.66
Rot. Bonds3

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

2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide (PubChem CID 132587202) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
PubChem CID132587202
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
SMILESCOc1ccc(=O)n(CC(=O)N(C)C)n1
InChIInChI=1S/C9H13N3O3/c1-11(2)9(14)6-12-8(13)5-4-7(10-12)15-3/h4-5H,6H2,1-3H3
InChIKeyKMINVUIGJZFBPR-UHFFFAOYSA-N
XLogP-0.66
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061881
6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073142
ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate
CID 105061550
6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061863
2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 99841724
(E)-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid
CID 105061529
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061852
N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061449
2-(4-aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061918
6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid
CID 105061554
3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide
CID 105062241

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide (CID 132587202) is 2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide is COc1ccc(=O)n(CC(=O)N(C)C)n1.
What is the InChIKey of 2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
The InChIKey is KMINVUIGJZFBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-11(2)9(14)6-12-8(13)5-4-7(10-12)15-3/h4-5H,6H2,1-3H3.
What are the key properties of 2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide has a molecular weight of 211.22 g/mol, XLogP of -0.66, 3 rotatable bonds, 0 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,N-dimethylacetamide is sourced from PubChem (CID 132587202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).