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

C12H20N4O3 — CID 103222711

IUPAC2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C12H20N4O3/c1-9(2)6-14-11(17)8-16-12(18)5-10(7-15-16)19-4-3-13/h5,7,9H,3-4,6,8,13H2,1-2H3,(H,14,17)
InChIKeyWZIKAUIAJPUHIA-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.65
Rot. Bonds7

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

2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 103222711) 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-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID103222711
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C12H20N4O3/c1-9(2)6-14-11(17)8-16-12(18)5-10(7-15-16)19-4-3-13/h5,7,9H,3-4,6,8,13H2,1-2H3,(H,14,17)
InChIKeyWZIKAUIAJPUHIA-UHFFFAOYSA-N
XLogP-0.65
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.65
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-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221587
N-(2-methoxyethyl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221622
5-(2-Aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one
CID 103222646
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-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide (CID 103222711) is 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1ncc(OCCN)cc1=O.
What is the InChIKey of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is WZIKAUIAJPUHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-9(2)6-14-11(17)8-16-12(18)5-10(7-15-16)19-4-3-13/h5,7,9H,3-4,6,8,13H2,1-2H3,(H,14,17).
What are the key properties of 2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide?
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 268.32 g/mol, XLogP of -0.65, 7 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 103222711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).