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

C12H20N4O3 — CID 103222761

IUPAC2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-butylacetamide
SMILESCCCCNC(=O)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C12H20N4O3/c1-2-3-5-14-11(17)9-16-12(18)7-10(8-15-16)19-6-4-13/h7-8H,2-6,9,13H2,1H3,(H,14,17)
InChIKeyWAUPFSWAYYLSGP-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.50
Rot. Bonds8

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

2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-butylacetamide (PubChem CID 103222761) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-butylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-butylacetamide
PubChem CID103222761
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-butylacetamide
SMILESCCCCNC(=O)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C12H20N4O3/c1-2-3-5-14-11(17)9-16-12(18)7-10(8-15-16)19-6-4-13/h7-8H,2-6,9,13H2,1H3,(H,14,17)
InChIKeyWAUPFSWAYYLSGP-UHFFFAOYSA-N
XLogP-0.50
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-butylacetamide?
The IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-butylacetamide (CID 103222761) is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-butylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-butylacetamide?
The canonical SMILES for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-butylacetamide is CCCCNC(=O)Cn1ncc(OCCN)cc1=O.
What is the InChIKey of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-butylacetamide?
The InChIKey is WAUPFSWAYYLSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-2-3-5-14-11(17)9-16-12(18)7-10(8-15-16)19-6-4-13/h7-8H,2-6,9,13H2,1H3,(H,14,17).
What are the key properties of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-butylacetamide?
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-butylacetamide has a molecular weight of 268.32 g/mol, XLogP of -0.50, 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-butylacetamide is sourced from PubChem (CID 103222761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).