2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide

C12H20N4O3 — CID 103219005

IUPAC2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCCNc1cnn(CC(=O)NCCCOC)c(=O)c1
InChIInChI=1S/C12H20N4O3/c1-3-13-10-7-12(18)16(15-8-10)9-11(17)14-5-4-6-19-2/h7-8,13H,3-6,9H2,1-2H3,(H,14,17)
InChIKeyOFMQJJOUPJLNKM-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.17
Rot. Bonds8

About 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide

2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 103219005) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID103219005
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCCNc1cnn(CC(=O)NCCCOC)c(=O)c1
InChIInChI=1S/C12H20N4O3/c1-3-13-10-7-12(18)16(15-8-10)9-11(17)14-5-4-6-19-2/h7-8,13H,3-6,9H2,1-2H3,(H,14,17)
InChIKeyOFMQJJOUPJLNKM-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide (CID 103219005) is 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide is CCNc1cnn(CC(=O)NCCCOC)c(=O)c1.
What is the InChIKey of 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is OFMQJJOUPJLNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-13-10-7-12(18)16(15-8-10)9-11(17)14-5-4-6-19-2/h7-8,13H,3-6,9H2,1-2H3,(H,14,17).
What are the key properties of 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)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 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 103219005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).