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

C9H12F3N3O2 — CID 79039623

IUPAC6-oxo-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCCC(F)(F)F)=NN1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)4-1-5-13-8(17)6-2-3-7(16)15-14-6/h1-5H2,(H,13,17)(H,15,16)
InChIKeyLSCRKTXGOIYTGN-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.71
Rot. Bonds4

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

6-oxo-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 79039623) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 6-oxo-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID79039623
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name6-oxo-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCCC(F)(F)F)=NN1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)4-1-5-13-8(17)6-2-3-7(16)15-14-6/h1-5H2,(H,13,17)(H,15,16)
InChIKeyLSCRKTXGOIYTGN-UHFFFAOYSA-N
XLogP0.71
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-oxo-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 79039623) is 6-oxo-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCCCC(F)(F)F)=NN1.
What is the InChIKey of 6-oxo-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is LSCRKTXGOIYTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c10-9(11,12)4-1-5-13-8(17)6-2-3-7(16)15-14-6/h1-5H2,(H,13,17)(H,15,16).
What are the key properties of 6-oxo-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 251.21 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 79039623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).