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

C13H20N4O3 — CID 103219183

IUPAC2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide
SMILESCCNc1cnn(CC(=O)NC2CCOCC2)c(=O)c1
InChIInChI=1S/C13H20N4O3/c1-2-14-11-7-13(19)17(15-8-11)9-12(18)16-10-3-5-20-6-4-10/h7-8,10,14H,2-6,9H2,1H3,(H,16,18)
InChIKeyBRGLXZRWWVQDRS-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.03
Rot. Bonds5

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

2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 103219183) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID103219183
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide
SMILESCCNc1cnn(CC(=O)NC2CCOCC2)c(=O)c1
InChIInChI=1S/C13H20N4O3/c1-2-14-11-7-13(19)17(15-8-11)9-12(18)16-10-3-5-20-6-4-10/h7-8,10,14H,2-6,9H2,1H3,(H,16,18)
InChIKeyBRGLXZRWWVQDRS-UHFFFAOYSA-N
XLogP-0.03
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide (CID 103219183) is 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide is CCNc1cnn(CC(=O)NC2CCOCC2)c(=O)c1.
What is the InChIKey of 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is BRGLXZRWWVQDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-14-11-7-13(19)17(15-8-11)9-12(18)16-10-3-5-20-6-4-10/h7-8,10,14H,2-6,9H2,1H3,(H,16,18).
What are the key properties of 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide?
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 280.33 g/mol, XLogP of -0.03, 5 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-(oxan-4-yl)acetamide is sourced from PubChem (CID 103219183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).