6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1,2-dihydropyridazine-3,4-dione

C12H10F3N3O2 — CID 71269834

IUPAC6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(CCc2ccc(C(F)(F)F)nc2)[nH][nH]c1=O
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)10-4-2-7(6-16-10)1-3-8-5-9(19)11(20)18-17-8/h2,4-6H,1,3H2,(H,17,19)(H,18,20)
InChIKeyXYAZCFMABJQHTG-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.26
Rot. Bonds3

About 6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1,2-dihydropyridazine-3,4-dione

6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1,2-dihydropyridazine-3,4-dione (PubChem CID 71269834) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1,2-dihydropyridazine-3,4-dione.

Molecular Properties

Compound Name6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1,2-dihydropyridazine-3,4-dione
PubChem CID71269834
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(CCc2ccc(C(F)(F)F)nc2)[nH][nH]c1=O
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)10-4-2-7(6-16-10)1-3-8-5-9(19)11(20)18-17-8/h2,4-6H,1,3H2,(H,17,19)(H,18,20)
InChIKeyXYAZCFMABJQHTG-UHFFFAOYSA-N
XLogP1.26
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1,2-dihydropyridazine-3,4-dione?
The IUPAC name of 6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1,2-dihydropyridazine-3,4-dione (CID 71269834) is 6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1,2-dihydropyridazine-3,4-dione.
What is the SMILES notation for 6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1,2-dihydropyridazine-3,4-dione?
The canonical SMILES for 6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1,2-dihydropyridazine-3,4-dione is O=c1cc(CCc2ccc(C(F)(F)F)nc2)[nH][nH]c1=O.
What is the InChIKey of 6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1,2-dihydropyridazine-3,4-dione?
The InChIKey is XYAZCFMABJQHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)10-4-2-7(6-16-10)1-3-8-5-9(19)11(20)18-17-8/h2,4-6H,1,3H2,(H,17,19)(H,18,20).
What are the key properties of 6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1,2-dihydropyridazine-3,4-dione?
6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1,2-dihydropyridazine-3,4-dione has a molecular weight of 285.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1,2-dihydropyridazine-3,4-dione is sourced from PubChem (CID 71269834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).