2-[2-(methoxymethyl)-3-oxopyridazin-4-yl]ethyl acetate

C10H14N2O4 — CID 150709349

IUPAC2-[2-(methoxymethyl)-3-oxopyridazin-4-yl]ethyl acetate
SMILESCOCn1nccc(CCOC(C)=O)c1=O
InChIInChI=1S/C10H14N2O4/c1-8(13)16-6-4-9-3-5-11-12(7-15-2)10(9)14/h3,5H,4,6-7H2,1-2H3
InChIKeyJNOASXSZMLKNBS-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.05
Rot. Bonds5

About 2-[2-(methoxymethyl)-3-oxopyridazin-4-yl]ethyl acetate

2-[2-(methoxymethyl)-3-oxopyridazin-4-yl]ethyl acetate (PubChem CID 150709349) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)-3-oxopyridazin-4-yl]ethyl acetate.

Molecular Properties

Compound Name2-[2-(methoxymethyl)-3-oxopyridazin-4-yl]ethyl acetate
PubChem CID150709349
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[2-(methoxymethyl)-3-oxopyridazin-4-yl]ethyl acetate
SMILESCOCn1nccc(CCOC(C)=O)c1=O
InChIInChI=1S/C10H14N2O4/c1-8(13)16-6-4-9-3-5-11-12(7-15-2)10(9)14/h3,5H,4,6-7H2,1-2H3
InChIKeyJNOASXSZMLKNBS-UHFFFAOYSA-N
XLogP-0.05
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)-3-oxopyridazin-4-yl]ethyl acetate?
The IUPAC name of 2-[2-(methoxymethyl)-3-oxopyridazin-4-yl]ethyl acetate (CID 150709349) is 2-[2-(methoxymethyl)-3-oxopyridazin-4-yl]ethyl acetate.
What is the SMILES notation for 2-[2-(methoxymethyl)-3-oxopyridazin-4-yl]ethyl acetate?
The canonical SMILES for 2-[2-(methoxymethyl)-3-oxopyridazin-4-yl]ethyl acetate is COCn1nccc(CCOC(C)=O)c1=O.
What is the InChIKey of 2-[2-(methoxymethyl)-3-oxopyridazin-4-yl]ethyl acetate?
The InChIKey is JNOASXSZMLKNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-8(13)16-6-4-9-3-5-11-12(7-15-2)10(9)14/h3,5H,4,6-7H2,1-2H3.
What are the key properties of 2-[2-(methoxymethyl)-3-oxopyridazin-4-yl]ethyl acetate?
2-[2-(methoxymethyl)-3-oxopyridazin-4-yl]ethyl acetate has a molecular weight of 226.23 g/mol, XLogP of -0.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)-3-oxopyridazin-4-yl]ethyl acetate is sourced from PubChem (CID 150709349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).