N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

C12H11N3O2 — CID 10933251

IUPACN-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C12H11N3O2/c1-8(16)13-10-4-2-9(3-5-10)11-6-7-12(17)15-14-11/h2-7H,1H3,(H,13,16)(H,15,17)
InChIKeyHSGPHRVPRSMJPF-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.40
Rot. Bonds2

About N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 10933251) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID10933251
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C12H11N3O2/c1-8(16)13-10-4-2-9(3-5-10)11-6-7-12(17)15-14-11/h2-7H,1H3,(H,13,16)(H,15,17)
InChIKeyHSGPHRVPRSMJPF-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-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (CID 10933251) is N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc(=O)[nH]n2)cc1.
What is the InChIKey of N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is HSGPHRVPRSMJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-8(16)13-10-4-2-9(3-5-10)11-6-7-12(17)15-14-11/h2-7H,1H3,(H,13,16)(H,15,17).
What are the key properties of N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]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-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 10933251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).