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

C9H14N4O3 — CID 103222665

IUPAC2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]propanamide
SMILESCC(C(N)=O)n1ncc(OCCN)cc1=O
InChIInChI=1S/C9H14N4O3/c1-6(9(11)15)13-8(14)4-7(5-12-13)16-3-2-10/h4-6H,2-3,10H2,1H3,(H2,11,15)
InChIKeyHTDRNVMKWQKKNW-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.37
Rot. Bonds5

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

2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]propanamide (PubChem CID 103222665) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]propanamide
PubChem CID103222665
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]propanamide
SMILESCC(C(N)=O)n1ncc(OCCN)cc1=O
InChIInChI=1S/C9H14N4O3/c1-6(9(11)15)13-8(14)4-7(5-12-13)16-3-2-10/h4-6H,2-3,10H2,1H3,(H2,11,15)
InChIKeyHTDRNVMKWQKKNW-UHFFFAOYSA-N
XLogP-1.37
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.37
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
2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223046
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
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide
CID 103222655
5-(2-Aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 103222680
5-(2-Aminoethoxy)-2-(3-methoxypropyl)pyridazin-3-one
CID 103222681
5-(2-Aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 103222683
5-(2-Aminoethoxy)-2-propylpyridazin-3-one
CID 103222684
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide
CID 103222697
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide
CID 103222711

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]propanamide (CID 103222665) is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]propanamide is CC(C(N)=O)n1ncc(OCCN)cc1=O.
What is the InChIKey of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is HTDRNVMKWQKKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-6(9(11)15)13-8(14)4-7(5-12-13)16-3-2-10/h4-6H,2-3,10H2,1H3,(H2,11,15).
What are the key properties of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]propanamide?
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 226.24 g/mol, XLogP of -1.37, 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]propanamide is sourced from PubChem (CID 103222665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).