3-[4-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one

C18H9F3N2O — CID 10404089

IUPAC3-[4-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(-c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C18H9F3N2O/c19-18(20,21)11-7-5-10(6-8-11)15-9-14-16(23-22-15)12-3-1-2-4-13(12)17(14)24/h1-9H
InChIKeyJOCNDLZDRNVPCH-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.37
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one

3-[4-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one (PubChem CID 10404089) has the molecular formula C18H9F3N2O and a molecular weight of 326.28 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one
PubChem CID10404089
Molecular FormulaC18H9F3N2O
Molecular Weight326.28 g/mol
Exact Mass326.07
IUPAC Name3-[4-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(-c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C18H9F3N2O/c19-18(20,21)11-7-5-10(6-8-11)15-9-14-16(23-22-15)12-3-1-2-4-13(12)17(14)24/h1-9H
InChIKeyJOCNDLZDRNVPCH-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one (CID 10404089) is 3-[4-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one is O=C1c2ccccc2-c2nnc(-c3ccc(C(F)(F)F)cc3)cc21.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one?
The InChIKey is JOCNDLZDRNVPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F3N2O/c19-18(20,21)11-7-5-10(6-8-11)15-9-14-16(23-22-15)12-3-1-2-4-13(12)17(14)24/h1-9H.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one?
3-[4-(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-[4-(trifluoromethyl)phenyl]indeno[1,2-c]pyridazin-5-one is sourced from PubChem (CID 10404089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).