2-(3-methyl-6-oxopyridazin-1-yl)acetamide

C7H9N3O2 — CID 62924257

IUPAC2-(3-methyl-6-oxopyridazin-1-yl)acetamide
SMILESCc1ccc(=O)n(CC(N)=O)n1
InChIInChI=1S/C7H9N3O2/c1-5-2-3-7(12)10(9-5)4-6(8)11/h2-3H,4H2,1H3,(H2,8,11)
InChIKeyNUHHQEJIFZUJAY-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.96
Rot. Bonds2

About 2-(3-methyl-6-oxopyridazin-1-yl)acetamide

2-(3-methyl-6-oxopyridazin-1-yl)acetamide (PubChem CID 62924257) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-(3-methyl-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-6-oxopyridazin-1-yl)acetamide
PubChem CID62924257
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-(3-methyl-6-oxopyridazin-1-yl)acetamide
SMILESCc1ccc(=O)n(CC(N)=O)n1
InChIInChI=1S/C7H9N3O2/c1-5-2-3-7(12)10(9-5)4-6(8)11/h2-3H,4H2,1H3,(H2,8,11)
InChIKeyNUHHQEJIFZUJAY-UHFFFAOYSA-N
XLogP-0.96
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of 2-(3-methyl-6-oxopyridazin-1-yl)acetamide (CID 62924257) is 2-(3-methyl-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for 2-(3-methyl-6-oxopyridazin-1-yl)acetamide is Cc1ccc(=O)n(CC(N)=O)n1.
What is the InChIKey of 2-(3-methyl-6-oxopyridazin-1-yl)acetamide?
The InChIKey is NUHHQEJIFZUJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-5-2-3-7(12)10(9-5)4-6(8)11/h2-3H,4H2,1H3,(H2,8,11).
What are the key properties of 2-(3-methyl-6-oxopyridazin-1-yl)acetamide?
2-(3-methyl-6-oxopyridazin-1-yl)acetamide has a molecular weight of 167.17 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 62924257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).