2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide

C11H19N5O3 — CID 103221187

IUPAC2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1ncc(NCCN)cc1=O
InChIInChI=1S/C11H19N5O3/c1-19-5-4-14-10(17)8-16-11(18)6-9(7-15-16)13-3-2-12/h6-7,13H,2-5,8,12H2,1H3,(H,14,17)
InChIKeyGXTBIJINWFLCIJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.62
Rot. Bonds8

About 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide

2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 103221187) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID103221187
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1ncc(NCCN)cc1=O
InChIInChI=1S/C11H19N5O3/c1-19-5-4-14-10(17)8-16-11(18)6-9(7-15-16)13-3-2-12/h6-7,13H,2-5,8,12H2,1H3,(H,14,17)
InChIKeyGXTBIJINWFLCIJ-UHFFFAOYSA-N
XLogP-1.62
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(2-aminoethyl)-4-morpholinyl]-6-oxo-1(6H)-pyridazinyl]-N-ethyl-N-methylacetamide
CID 56892429
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103218675
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219116
5-(Ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103219215
5-(Propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103219592
5-(Propylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103220359
5-(2-Aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103221290
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223469
5-[2-Aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223513
2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223681
5-[2-(Methylamino)ethylamino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223724
5-(Methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 113789723

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide (CID 103221187) is 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1ncc(NCCN)cc1=O.
What is the InChIKey of 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is GXTBIJINWFLCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-19-5-4-14-10(17)8-16-11(18)6-9(7-15-16)13-3-2-12/h6-7,13H,2-5,8,12H2,1H3,(H,14,17).
What are the key properties of 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 269.30 g/mol, XLogP of -1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 103221187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).