N-(pyridazin-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H11F3N4O — CID 106834500

IUPACN-(pyridazin-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCc1cccnn1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)6-13-5-8(17)14-4-7-2-1-3-15-16-7/h1-3,13H,4-6H2,(H,14,17)
InChIKeyCOVSBKSWOLDPPA-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.24
Rot. Bonds5

About N-(pyridazin-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(pyridazin-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 106834500) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is N-(pyridazin-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(pyridazin-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID106834500
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC NameN-(pyridazin-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCc1cccnn1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)6-13-5-8(17)14-4-7-2-1-3-15-16-7/h1-3,13H,4-6H2,(H,14,17)
InChIKeyCOVSBKSWOLDPPA-UHFFFAOYSA-N
XLogP0.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(pyridazin-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)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 N-(pyridazin-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(pyridazin-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 106834500) is N-(pyridazin-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(pyridazin-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(pyridazin-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCc1cccnn1.
What is the InChIKey of N-(pyridazin-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is COVSBKSWOLDPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c10-9(11,12)6-13-5-8(17)14-4-7-2-1-3-15-16-7/h1-3,13H,4-6H2,(H,14,17).
What are the key properties of N-(pyridazin-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(pyridazin-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 248.21 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 106834500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).