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

C12H5F3N2O — CID 10332318

IUPAC3-(trifluoromethyl)indeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(C(F)(F)F)cc21
InChIInChI=1S/C12H5F3N2O/c13-12(14,15)9-5-8-10(17-16-9)6-3-1-2-4-7(6)11(8)18/h1-5H
InChIKeyXPRJVQZVODKZMT-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.71
Rot. Bonds

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

3-(trifluoromethyl)indeno[1,2-c]pyridazin-5-one (PubChem CID 10332318) has the molecular formula C12H5F3N2O and a molecular weight of 250.18 g/mol. Its IUPAC name is 3-(trifluoromethyl)indeno[1,2-c]pyridazin-5-one.

Molecular Properties

Compound Name3-(trifluoromethyl)indeno[1,2-c]pyridazin-5-one
PubChem CID10332318
Molecular FormulaC12H5F3N2O
Molecular Weight250.18 g/mol
Exact Mass250.04
IUPAC Name3-(trifluoromethyl)indeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(C(F)(F)F)cc21
InChIInChI=1S/C12H5F3N2O/c13-12(14,15)9-5-8-10(17-16-9)6-3-1-2-4-7(6)11(8)18/h1-5H
InChIKeyXPRJVQZVODKZMT-UHFFFAOYSA-N
XLogP2.71
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.71
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-(trifluoromethyl)indeno[1,2-c]pyridazin-5-one?
The IUPAC name of 3-(trifluoromethyl)indeno[1,2-c]pyridazin-5-one (CID 10332318) is 3-(trifluoromethyl)indeno[1,2-c]pyridazin-5-one.
What is the SMILES notation for 3-(trifluoromethyl)indeno[1,2-c]pyridazin-5-one?
The canonical SMILES for 3-(trifluoromethyl)indeno[1,2-c]pyridazin-5-one is O=C1c2ccccc2-c2nnc(C(F)(F)F)cc21.
What is the InChIKey of 3-(trifluoromethyl)indeno[1,2-c]pyridazin-5-one?
The InChIKey is XPRJVQZVODKZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F3N2O/c13-12(14,15)9-5-8-10(17-16-9)6-3-1-2-4-7(6)11(8)18/h1-5H.
What are the key properties of 3-(trifluoromethyl)indeno[1,2-c]pyridazin-5-one?
3-(trifluoromethyl)indeno[1,2-c]pyridazin-5-one has a molecular weight of 250.18 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)indeno[1,2-c]pyridazin-5-one is sourced from PubChem (CID 10332318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).