6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide

C11H6Cl3N3O2 — CID 103603355

IUPAC6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H6Cl3N3O2/c12-5-3-7(14)9(4-6(5)13)15-11(19)8-1-2-10(18)17-16-8/h1-4H,(H,15,19)(H,17,18)
InChIKeyGJPGUCQVMAOHHW-UHFFFAOYSA-N
MW318.55 g/mol
LogP2.98
Rot. Bonds2

About 6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide

6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide (PubChem CID 103603355) has the molecular formula C11H6Cl3N3O2 and a molecular weight of 318.55 g/mol. Its IUPAC name is 6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide
PubChem CID103603355
Molecular FormulaC11H6Cl3N3O2
Molecular Weight318.55 g/mol
Exact Mass316.95
IUPAC Name6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H6Cl3N3O2/c12-5-3-7(14)9(4-6(5)13)15-11(19)8-1-2-10(18)17-16-8/h1-4H,(H,15,19)(H,17,18)
InChIKeyGJPGUCQVMAOHHW-UHFFFAOYSA-N
XLogP2.98
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040849
N-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600396
N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103737179
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 31456332
N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103605944
N-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114073335
N-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 122151177
5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 108793532
N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103822749
N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040790
N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 112790938
N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95346590

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide (CID 103603355) is 6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide?
The InChIKey is GJPGUCQVMAOHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3N3O2/c12-5-3-7(14)9(4-6(5)13)15-11(19)8-1-2-10(18)17-16-8/h1-4H,(H,15,19)(H,17,18).
What are the key properties of 6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide?
6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide has a molecular weight of 318.55 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103603355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).