N-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide

C12H11N3O3 — CID 91733255

IUPACN-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide
SMILESCC(=O)Nc1c[nH]n(-c2ccccc2)c(=O)c1=O
InChIInChI=1S/C12H11N3O3/c1-8(16)14-10-7-13-15(12(18)11(10)17)9-5-3-2-4-6-9/h2-7,13H,1H3,(H,14,16)
InChIKeyULBRVEMPKBMNPC-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.48
Rot. Bonds2

About N-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide

N-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide (PubChem CID 91733255) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide
PubChem CID91733255
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide
SMILESCC(=O)Nc1c[nH]n(-c2ccccc2)c(=O)c1=O
InChIInChI=1S/C12H11N3O3/c1-8(16)14-10-7-13-15(12(18)11(10)17)9-5-3-2-4-6-9/h2-7,13H,1H3,(H,14,16)
InChIKeyULBRVEMPKBMNPC-UHFFFAOYSA-N
XLogP0.48
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide?
The IUPAC name of N-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide (CID 91733255) is N-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide.
What is the SMILES notation for N-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide?
The canonical SMILES for N-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide is CC(=O)Nc1c[nH]n(-c2ccccc2)c(=O)c1=O.
What is the InChIKey of N-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide?
The InChIKey is ULBRVEMPKBMNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-8(16)14-10-7-13-15(12(18)11(10)17)9-5-3-2-4-6-9/h2-7,13H,1H3,(H,14,16).
What are the key properties of N-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide?
N-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide has a molecular weight of 245.24 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide is sourced from PubChem (CID 91733255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).