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

C12H20N4O3 — CID 103222647

IUPAC2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C12H20N4O3/c1-3-15(4-2)12(18)9-16-11(17)7-10(8-14-16)19-6-5-13/h7-8H,3-6,9,13H2,1-2H3
InChIKeyQSMDFGVJPODTBT-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.55
Rot. Bonds7

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

2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide (PubChem CID 103222647) 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,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide
PubChem CID103222647
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C12H20N4O3/c1-3-15(4-2)12(18)9-16-11(17)7-10(8-14-16)19-6-5-13/h7-8H,3-6,9,13H2,1-2H3
InChIKeyQSMDFGVJPODTBT-UHFFFAOYSA-N
XLogP-0.55
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide (CID 103222647) is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1ncc(OCCN)cc1=O.
What is the InChIKey of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide?
The InChIKey is QSMDFGVJPODTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-15(4-2)12(18)9-16-11(17)7-10(8-14-16)19-6-5-13/h7-8H,3-6,9,13H2,1-2H3.
What are the key properties of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide?
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide has a molecular weight of 268.32 g/mol, XLogP of -0.55, 7 rotatable bonds, 1 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,N-diethylacetamide is sourced from PubChem (CID 103222647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).