2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(oxolan-3-ylmethyl)acetamide

C13H19N3O4 — CID 53499966

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(oxolan-3-ylmethyl)acetamide
SMILESCCN(CC1CCOC1)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H19N3O4/c1-2-15(7-10-5-6-20-9-10)13(19)8-16-12(18)4-3-11(17)14-16/h3-4,10H,2,5-9H2,1H3,(H,14,17)
InChIKeyOUGAPPYZBJWVGU-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.58
Rot. Bonds5

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(oxolan-3-ylmethyl)acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(oxolan-3-ylmethyl)acetamide (PubChem CID 53499966) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(oxolan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(oxolan-3-ylmethyl)acetamide
PubChem CID53499966
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(oxolan-3-ylmethyl)acetamide
SMILESCCN(CC1CCOC1)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H19N3O4/c1-2-15(7-10-5-6-20-9-10)13(19)8-16-12(18)4-3-11(17)14-16/h3-4,10H,2,5-9H2,1H3,(H,14,17)
InChIKeyOUGAPPYZBJWVGU-UHFFFAOYSA-N
XLogP-0.58
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62371663
methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-3-carboxylate
CID 78968278
methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylate
CID 80184966
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 94891381
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 95124342
2-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 112627306
N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide
CID 154773873

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(oxolan-3-ylmethyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(oxolan-3-ylmethyl)acetamide (CID 53499966) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(oxolan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(oxolan-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(oxolan-3-ylmethyl)acetamide is CCN(CC1CCOC1)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(oxolan-3-ylmethyl)acetamide?
The InChIKey is OUGAPPYZBJWVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-2-15(7-10-5-6-20-9-10)13(19)8-16-12(18)4-3-11(17)14-16/h3-4,10H,2,5-9H2,1H3,(H,14,17).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(oxolan-3-ylmethyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(oxolan-3-ylmethyl)acetamide has a molecular weight of 281.31 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(oxolan-3-ylmethyl)acetamide is sourced from PubChem (CID 53499966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).