N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide

C12H20N4O3 — CID 103220247

IUPACN-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide
SMILESCCCNc1cnn(CC(=O)NCCOC)c(=O)c1
InChIInChI=1S/C12H20N4O3/c1-3-4-13-10-7-12(18)16(15-8-10)9-11(17)14-5-6-19-2/h7-8,13H,3-6,9H2,1-2H3,(H,14,17)
InChIKeyPHNYAQLGWHPSAM-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.17
Rot. Bonds8

About N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide

N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide (PubChem CID 103220247) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide
PubChem CID103220247
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide
SMILESCCCNc1cnn(CC(=O)NCCOC)c(=O)c1
InChIInChI=1S/C12H20N4O3/c1-3-4-13-10-7-12(18)16(15-8-10)9-11(17)14-5-6-19-2/h7-8,13H,3-6,9H2,1-2H3,(H,14,17)
InChIKeyPHNYAQLGWHPSAM-UHFFFAOYSA-N
XLogP-0.17
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.17
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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Related Compounds

2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 103221101
N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223616
N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223655
2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one
CID 103220306
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-butylacetamide
CID 103222761
N-(2-hydroxyethyl)-2-(4-methyl-6-oxopyridazin-1-yl)acetamide
CID 106548842
2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one
CID 103220259
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2-methoxyethyl)acetamide
CID 23601551
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526602
2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220165
2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 103221884

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide (CID 103220247) is N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide is CCCNc1cnn(CC(=O)NCCOC)c(=O)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide?
The InChIKey is PHNYAQLGWHPSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-4-13-10-7-12(18)16(15-8-10)9-11(17)14-5-6-19-2/h7-8,13H,3-6,9H2,1-2H3,(H,14,17).
What are the key properties of N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide has a molecular weight of 268.32 g/mol, XLogP of -0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide is sourced from PubChem (CID 103220247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).