2-(pyridazin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

C9H11F3N4O — CID 106895632

IUPAC2-(pyridazin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1cccnn1)NCC(F)(F)F
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)6-14-8(17)5-13-4-7-2-1-3-15-16-7/h1-3,13H,4-6H2,(H,14,17)
InChIKeyNTFXQFZUPZQXRA-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.24
Rot. Bonds5

About 2-(pyridazin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(pyridazin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 106895632) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-(pyridazin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(pyridazin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID106895632
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name2-(pyridazin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1cccnn1)NCC(F)(F)F
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)6-14-8(17)5-13-4-7-2-1-3-15-16-7/h1-3,13H,4-6H2,(H,14,17)
InChIKeyNTFXQFZUPZQXRA-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 2-(pyridazin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)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-(pyridazin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(pyridazin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 106895632) is 2-(pyridazin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(pyridazin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(pyridazin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCc1cccnn1)NCC(F)(F)F.
What is the InChIKey of 2-(pyridazin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NTFXQFZUPZQXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c10-9(11,12)6-14-8(17)5-13-4-7-2-1-3-15-16-7/h1-3,13H,4-6H2,(H,14,17).
What are the key properties of 2-(pyridazin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(pyridazin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)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 2-(pyridazin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 106895632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).