N-ethyl-N-(6-oxo-1H-pyridazin-3-yl)acetamide

C8H11N3O2 — CID 13274970

IUPACN-ethyl-N-(6-oxo-1H-pyridazin-3-yl)acetamide
SMILESCCN(C(C)=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H11N3O2/c1-3-11(6(2)12)7-4-5-8(13)10-9-7/h4-5H,3H2,1-2H3,(H,10,13)
InChIKeyZOEAUNNQAQSKDV-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.14
Rot. Bonds2

About N-ethyl-N-(6-oxo-1H-pyridazin-3-yl)acetamide

N-ethyl-N-(6-oxo-1H-pyridazin-3-yl)acetamide (PubChem CID 13274970) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-ethyl-N-(6-oxo-1H-pyridazin-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(6-oxo-1H-pyridazin-3-yl)acetamide
PubChem CID13274970
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-ethyl-N-(6-oxo-1H-pyridazin-3-yl)acetamide
SMILESCCN(C(C)=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H11N3O2/c1-3-11(6(2)12)7-4-5-8(13)10-9-7/h4-5H,3H2,1-2H3,(H,10,13)
InChIKeyZOEAUNNQAQSKDV-UHFFFAOYSA-N
XLogP0.14
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(6-oxo-1H-pyridazin-3-yl)acetamide?
The IUPAC name of N-ethyl-N-(6-oxo-1H-pyridazin-3-yl)acetamide (CID 13274970) is N-ethyl-N-(6-oxo-1H-pyridazin-3-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(6-oxo-1H-pyridazin-3-yl)acetamide?
The canonical SMILES for N-ethyl-N-(6-oxo-1H-pyridazin-3-yl)acetamide is CCN(C(C)=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-ethyl-N-(6-oxo-1H-pyridazin-3-yl)acetamide?
The InChIKey is ZOEAUNNQAQSKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-11(6(2)12)7-4-5-8(13)10-9-7/h4-5H,3H2,1-2H3,(H,10,13).
What are the key properties of N-ethyl-N-(6-oxo-1H-pyridazin-3-yl)acetamide?
N-ethyl-N-(6-oxo-1H-pyridazin-3-yl)acetamide has a molecular weight of 181.19 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(6-oxo-1H-pyridazin-3-yl)acetamide is sourced from PubChem (CID 13274970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).