6-ethoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide

C14H12F3N3O3 — CID 90509717

IUPAC6-ethoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)nn1
InChIInChI=1S/C14H12F3N3O3/c1-2-22-12-8-7-10(19-20-12)13(21)18-9-5-3-4-6-11(9)23-14(15,16)17/h3-8H,2H2,1H3,(H,18,21)
InChIKeyLMSMIVMXEJSPHB-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.03
Rot. Bonds5

About 6-ethoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide

6-ethoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (PubChem CID 90509717) has the molecular formula C14H12F3N3O3 and a molecular weight of 327.26 g/mol. Its IUPAC name is 6-ethoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
PubChem CID90509717
Molecular FormulaC14H12F3N3O3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC Name6-ethoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)nn1
InChIInChI=1S/C14H12F3N3O3/c1-2-22-12-8-7-10(19-20-12)13(21)18-9-5-3-4-6-11(9)23-14(15,16)17/h3-8H,2H2,1H3,(H,18,21)
InChIKeyLMSMIVMXEJSPHB-UHFFFAOYSA-N
XLogP3.03
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethoxy-N-[2-(trifluoromethoxy)phenyl]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-ethoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (CID 90509717) is 6-ethoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)nn1.
What is the InChIKey of 6-ethoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The InChIKey is LMSMIVMXEJSPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3/c1-2-22-12-8-7-10(19-20-12)13(21)18-9-5-3-4-6-11(9)23-14(15,16)17/h3-8H,2H2,1H3,(H,18,21).
What are the key properties of 6-ethoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
6-ethoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide has a molecular weight of 327.26 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 90509717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).