3-[3-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one

C18H9F3N2O — CID 6404472

IUPAC3-[3-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C18H9F3N2O/c19-18(20,21)11-5-3-4-10(8-11)15-9-14-16(23-22-15)12-6-1-2-7-13(12)17(14)24/h1-9H
InChIKeyCNDITQVEPOHLRX-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.37
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one

3-[3-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one (PubChem CID 6404472) has the molecular formula C18H9F3N2O and a molecular weight of 326.28 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one
PubChem CID6404472
Molecular FormulaC18H9F3N2O
Molecular Weight326.28 g/mol
Exact Mass326.07
IUPAC Name3-[3-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C18H9F3N2O/c19-18(20,21)11-5-3-4-10(8-11)15-9-14-16(23-22-15)12-6-1-2-7-13(12)17(14)24/h1-9H
InChIKeyCNDITQVEPOHLRX-UHFFFAOYSA-N
XLogP4.37
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

Analyze 3-[3-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-5H-indeno[1,2-c]pyridazin-5-one
CID 379341
3-Phenyl-5H-indeno[1,2-c]pyridazin-5-one
CID 379337
3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2767330
3-(2-nitrophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 10357601
4-phenyl-5H-indeno[1,2-c]pyridazin-5-one
CID 10106561
3-(4-Chlorophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 379339
3-(4-nitrophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 379340
3-(4-fluorophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2765447
3-(4-bromophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2767328
3-(3-chlorophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2767331
3-(2-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2769183
3-(3-bromophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2834140

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one (CID 6404472) is 3-[3-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one is O=C1c2ccccc2-c2nnc(-c3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one?
The InChIKey is CNDITQVEPOHLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F3N2O/c19-18(20,21)11-5-3-4-10(8-11)15-9-14-16(23-22-15)12-6-1-2-7-13(12)17(14)24/h1-9H.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one?
3-[3-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one has a molecular weight of 326.28 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one is sourced from PubChem (CID 6404472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).