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

C12H20N4O3 — CID 103222790

IUPAC2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C12H20N4O3/c1-12(2,3)15-10(17)8-16-11(18)6-9(7-14-16)19-5-4-13/h6-7H,4-5,8,13H2,1-3H3,(H,15,17)
InChIKeyJVWNBJIYAQLRQO-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.50
Rot. Bonds5

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

2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-tert-butylacetamide (PubChem CID 103222790) 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-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-tert-butylacetamide
PubChem CID103222790
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C12H20N4O3/c1-12(2,3)15-10(17)8-16-11(18)6-9(7-14-16)19-5-4-13/h6-7H,4-5,8,13H2,1-3H3,(H,15,17)
InChIKeyJVWNBJIYAQLRQO-UHFFFAOYSA-N
XLogP-0.50
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
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

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Related Compounds

2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-butylacetamide
CID 103222761
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide
CID 103222868
2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
CID 103223192
5-(2-aminoethoxy)-2-propylpyridazin-3-one
CID 103222684
N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221610
5-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]pentanenitrile
CID 103222821
4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]butanenitrile
CID 103222795
3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
CID 103223298
5-(2-aminoethoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one
CID 103222865
5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103222890
5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 103222846
5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one
CID 103222750

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-tert-butylacetamide (CID 103222790) is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-tert-butylacetamide is CC(C)(C)NC(=O)Cn1ncc(OCCN)cc1=O.
What is the InChIKey of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-tert-butylacetamide?
The InChIKey is JVWNBJIYAQLRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-12(2,3)15-10(17)8-16-11(18)6-9(7-14-16)19-5-4-13/h6-7H,4-5,8,13H2,1-3H3,(H,15,17).
What are the key properties of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-tert-butylacetamide?
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-tert-butylacetamide has a molecular weight of 268.32 g/mol, XLogP of -0.50, 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]-N-tert-butylacetamide is sourced from PubChem (CID 103222790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).