2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide

C12H14F3N3O2 — CID 122280068

IUPAC2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C12H14F3N3O2/c1-7(11(20)16-6-12(13,14)15)18-10(19)5-8-3-2-4-9(8)17-18/h5,7H,2-4,6H2,1H3,(H,16,20)
InChIKeyLMTCCURSEYRXPO-UHFFFAOYSA-N
MW289.26 g/mol
LogP0.97
Rot. Bonds3

About 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide

2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 122280068) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID122280068
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C12H14F3N3O2/c1-7(11(20)16-6-12(13,14)15)18-10(19)5-8-3-2-4-9(8)17-18/h5,7H,2-4,6H2,1H3,(H,16,20)
InChIKeyLMTCCURSEYRXPO-UHFFFAOYSA-N
XLogP0.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide 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-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 122280068) is 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)n1nc2c(cc1=O)CCC2.
What is the InChIKey of 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is LMTCCURSEYRXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-7(11(20)16-6-12(13,14)15)18-10(19)5-8-3-2-4-9(8)17-18/h5,7H,2-4,6H2,1H3,(H,16,20).
What are the key properties of 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide?
2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 289.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 122280068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).