2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide

C13H22N4O3 — CID 103222697

IUPAC2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C13H22N4O3/c1-3-4-10(2)16-12(18)9-17-13(19)7-11(8-15-17)20-6-5-14/h7-8,10H,3-6,9,14H2,1-2H3,(H,16,18)
InChIKeyKRUZEMHUPQRBHA-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.11
Rot. Bonds8

About 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide

2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide (PubChem CID 103222697) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide
PubChem CID103222697
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C13H22N4O3/c1-3-4-10(2)16-12(18)9-17-13(19)7-11(8-15-17)20-6-5-14/h7-8,10H,3-6,9,14H2,1-2H3,(H,16,18)
InChIKeyKRUZEMHUPQRBHA-UHFFFAOYSA-N
XLogP-0.11
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.11
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
N-(1-methoxypropan-2-yl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide
CID 103220193
5-(2-Aminoethoxy)-2-heptylpyridazin-3-one
CID 103222644
5-(2-Aminoethoxy)-2-hexylpyridazin-3-one
CID 103222645
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]-N-ethyl-N-methylacetamide
CID 103222655
2-[4-(2-Aminoethoxy)-6-oxopyridazin-1-yl]propanamide
CID 103222665
5-(2-Aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one
CID 103222678
5-(2-Aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 103222680
5-(2-Aminoethoxy)-2-(3-methoxypropyl)pyridazin-3-one
CID 103222681

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide (CID 103222697) is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1ncc(OCCN)cc1=O.
What is the InChIKey of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide?
The InChIKey is KRUZEMHUPQRBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-4-10(2)16-12(18)9-17-13(19)7-11(8-15-17)20-6-5-14/h7-8,10H,3-6,9,14H2,1-2H3,(H,16,18).
What are the key properties of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide?
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide has a molecular weight of 282.34 g/mol, XLogP of -0.11, 8 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]-N-pentan-2-ylacetamide is sourced from PubChem (CID 103222697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).