2-(4-fluorophenoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide

C20H16FN5O2 — CID 91893388

IUPAC2-(4-fluorophenoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCc1nnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C20H16FN5O2/c21-15-6-8-16(9-7-15)28-13-20(27)22-12-19-24-23-18-11-10-17(25-26(18)19)14-4-2-1-3-5-14/h1-11H,12-13H2,(H,22,27)
InChIKeyVARWETZBRJDEQN-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.63
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide

2-(4-fluorophenoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide (PubChem CID 91893388) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide
PubChem CID91893388
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name2-(4-fluorophenoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCc1nnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C20H16FN5O2/c21-15-6-8-16(9-7-15)28-13-20(27)22-12-19-24-23-18-11-10-17(25-26(18)19)14-4-2-1-3-5-14/h1-11H,12-13H2,(H,22,27)
InChIKeyVARWETZBRJDEQN-UHFFFAOYSA-N
XLogP2.63
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide 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 2-(4-fluorophenoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide (CID 91893388) is 2-(4-fluorophenoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide is O=C(COc1ccc(F)cc1)NCc1nnc2ccc(-c3ccccc3)nn12.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide?
The InChIKey is VARWETZBRJDEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c21-15-6-8-16(9-7-15)28-13-20(27)22-12-19-24-23-18-11-10-17(25-26(18)19)14-4-2-1-3-5-14/h1-11H,12-13H2,(H,22,27).
What are the key properties of 2-(4-fluorophenoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide?
2-(4-fluorophenoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide has a molecular weight of 377.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide is sourced from PubChem (CID 91893388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).