2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetamide

C8H12N4O3 — CID 103222729

IUPAC2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetamide
SMILESNCCOc1cnn(CC(N)=O)c(=O)c1
InChIInChI=1S/C8H12N4O3/c9-1-2-15-6-3-8(14)12(11-4-6)5-7(10)13/h3-4H,1-2,5,9H2,(H2,10,13)
InChIKeyZPGDEXJETOSBFJ-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.93
Rot. Bonds5

About 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetamide

2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetamide (PubChem CID 103222729) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetamide
PubChem CID103222729
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetamide
SMILESNCCOc1cnn(CC(N)=O)c(=O)c1
InChIInChI=1S/C8H12N4O3/c9-1-2-15-6-3-8(14)12(11-4-6)5-7(10)13/h3-4H,1-2,5,9H2,(H2,10,13)
InChIKeyZPGDEXJETOSBFJ-UHFFFAOYSA-N
XLogP-1.93
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103222825
5-(2-Aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103222873
2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223046
2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223254
5-(2-Aminoethoxy)-2-methylpyridazin-3-one
CID 84075911
5-(2-Aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one
CID 103222646
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide
CID 103222647
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide
CID 103222649
2-[4-(2-Aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile
CID 103222651
5-(2-Aminoethoxy)-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 103222654
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide
CID 103222655
5-(2-Aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one
CID 103222659

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetamide (CID 103222729) is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetamide is NCCOc1cnn(CC(N)=O)c(=O)c1.
What is the InChIKey of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is ZPGDEXJETOSBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c9-1-2-15-6-3-8(14)12(11-4-6)5-7(10)13/h3-4H,1-2,5,9H2,(H2,10,13).
What are the key properties of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetamide?
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 212.21 g/mol, XLogP of -1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 103222729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).