2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)acetamide

C9H14N4O3 — CID 103218332

IUPAC2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1ncc(N)cc1=O
InChIInChI=1S/C9H14N4O3/c1-16-3-2-11-8(14)6-13-9(15)4-7(10)5-12-13/h4-5H,2-3,6,10H2,1H3,(H,11,14)
InChIKeyUAIOLESWUVHIOX-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.41
Rot. Bonds5

About 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)acetamide

2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 103218332) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)acetamide
PubChem CID103218332
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1ncc(N)cc1=O
InChIInChI=1S/C9H14N4O3/c1-16-3-2-11-8(14)6-13-9(15)4-7(10)5-12-13/h4-5H,2-3,6,10H2,1H3,(H,11,14)
InChIKeyUAIOLESWUVHIOX-UHFFFAOYSA-N
XLogP-1.41
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.41
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-amino-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)acetamide (CID 103218332) is 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1ncc(N)cc1=O.
What is the InChIKey of 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is UAIOLESWUVHIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-16-3-2-11-8(14)6-13-9(15)4-7(10)5-12-13/h4-5H,2-3,6,10H2,1H3,(H,11,14).
What are the key properties of 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)acetamide?
2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 226.24 g/mol, XLogP of -1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 103218332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).