N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)acetamide

C12H11N3O2 — CID 71678562

IUPACN-(6-oxo-5-phenyl-1H-pyridazin-3-yl)acetamide
SMILESCC(=O)Nc1cc(-c2ccccc2)c(=O)[nH]n1
InChIInChI=1S/C12H11N3O2/c1-8(16)13-11-7-10(12(17)15-14-11)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,17)(H,13,14,16)
InChIKeyYLTAJJJPAWSRTK-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.40
Rot. Bonds2

About N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)acetamide

N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)acetamide (PubChem CID 71678562) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-oxo-5-phenyl-1H-pyridazin-3-yl)acetamide
PubChem CID71678562
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-(6-oxo-5-phenyl-1H-pyridazin-3-yl)acetamide
SMILESCC(=O)Nc1cc(-c2ccccc2)c(=O)[nH]n1
InChIInChI=1S/C12H11N3O2/c1-8(16)13-11-7-10(12(17)15-14-11)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,17)(H,13,14,16)
InChIKeyYLTAJJJPAWSRTK-UHFFFAOYSA-N
XLogP1.40
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)acetamide?
The IUPAC name of N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)acetamide (CID 71678562) is N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)acetamide.
What is the SMILES notation for N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)acetamide?
The canonical SMILES for N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)acetamide is CC(=O)Nc1cc(-c2ccccc2)c(=O)[nH]n1.
What is the InChIKey of N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)acetamide?
The InChIKey is YLTAJJJPAWSRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-8(16)13-11-7-10(12(17)15-14-11)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,17)(H,13,14,16).
What are the key properties of N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)acetamide?
N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)acetamide has a molecular weight of 229.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)acetamide is sourced from PubChem (CID 71678562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).