6-chloro-N-(5,5,5-trifluoropentyl)pyridazine-3-carboxamide

C10H11ClF3N3O — CID 113327258

IUPAC6-chloro-N-(5,5,5-trifluoropentyl)pyridazine-3-carboxamide
SMILESO=C(NCCCCC(F)(F)F)c1ccc(Cl)nn1
InChIInChI=1S/C10H11ClF3N3O/c11-8-4-3-7(16-17-8)9(18)15-6-2-1-5-10(12,13)14/h3-4H,1-2,5-6H2,(H,15,18)
InChIKeyWXWNHKBESYDRHD-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.59
Rot. Bonds5

About 6-chloro-N-(5,5,5-trifluoropentyl)pyridazine-3-carboxamide

6-chloro-N-(5,5,5-trifluoropentyl)pyridazine-3-carboxamide (PubChem CID 113327258) has the molecular formula C10H11ClF3N3O and a molecular weight of 281.66 g/mol. Its IUPAC name is 6-chloro-N-(5,5,5-trifluoropentyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5,5,5-trifluoropentyl)pyridazine-3-carboxamide
PubChem CID113327258
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.66 g/mol
Exact Mass281.05
IUPAC Name6-chloro-N-(5,5,5-trifluoropentyl)pyridazine-3-carboxamide
SMILESO=C(NCCCCC(F)(F)F)c1ccc(Cl)nn1
InChIInChI=1S/C10H11ClF3N3O/c11-8-4-3-7(16-17-8)9(18)15-6-2-1-5-10(12,13)14/h3-4H,1-2,5-6H2,(H,15,18)
InChIKeyWXWNHKBESYDRHD-UHFFFAOYSA-N
XLogP2.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5,5,5-trifluoropentyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(5,5,5-trifluoropentyl)pyridazine-3-carboxamide (CID 113327258) is 6-chloro-N-(5,5,5-trifluoropentyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(5,5,5-trifluoropentyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(5,5,5-trifluoropentyl)pyridazine-3-carboxamide is O=C(NCCCCC(F)(F)F)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(5,5,5-trifluoropentyl)pyridazine-3-carboxamide?
The InChIKey is WXWNHKBESYDRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c11-8-4-3-7(16-17-8)9(18)15-6-2-1-5-10(12,13)14/h3-4H,1-2,5-6H2,(H,15,18).
What are the key properties of 6-chloro-N-(5,5,5-trifluoropentyl)pyridazine-3-carboxamide?
6-chloro-N-(5,5,5-trifluoropentyl)pyridazine-3-carboxamide has a molecular weight of 281.66 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5,5,5-trifluoropentyl)pyridazine-3-carboxamide is sourced from PubChem (CID 113327258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).