6-oxo-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C10H14F3N3O2 — CID 115491616

IUPAC6-oxo-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCCCC(F)(F)F)=NN1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)5-1-2-6-14-9(18)7-3-4-8(17)16-15-7/h1-6H2,(H,14,18)(H,16,17)
InChIKeyDUAGMEDVNHNKJE-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.10
Rot. Bonds5

About 6-oxo-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 115491616) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 6-oxo-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID115491616
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name6-oxo-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCCCC(F)(F)F)=NN1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)5-1-2-6-14-9(18)7-3-4-8(17)16-15-7/h1-6H2,(H,14,18)(H,16,17)
InChIKeyDUAGMEDVNHNKJE-UHFFFAOYSA-N
XLogP1.10
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
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-oxo-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 115491616) is 6-oxo-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCCCCC(F)(F)F)=NN1.
What is the InChIKey of 6-oxo-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is DUAGMEDVNHNKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c11-10(12,13)5-1-2-6-14-9(18)7-3-4-8(17)16-15-7/h1-6H2,(H,14,18)(H,16,17).
What are the key properties of 6-oxo-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 265.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 115491616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).