2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H13F3N4O2 — CID 103218098

IUPAC2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)NCCC2)NCC(F)(F)F
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)6-16-9(19)5-18-10(20)4-8-7(17-18)2-1-3-15-8/h4,15H,1-3,5-6H2,(H,16,19)
InChIKeyOLURAMLXZOTBDD-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.28
Rot. Bonds3

About 2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103218098) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103218098
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)NCCC2)NCC(F)(F)F
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)6-16-9(19)5-18-10(20)4-8-7(17-18)2-1-3-15-8/h4,15H,1-3,5-6H2,(H,16,19)
InChIKeyOLURAMLXZOTBDD-UHFFFAOYSA-N
XLogP0.28
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)-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-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 103218098) is 2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1nc2c(cc1=O)NCCC2)NCC(F)(F)F.
What is the InChIKey of 2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OLURAMLXZOTBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c12-11(13,14)6-16-9(19)5-18-10(20)4-8-7(17-18)2-1-3-15-8/h4,15H,1-3,5-6H2,(H,16,19).
What are the key properties of 2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 290.25 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103218098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).