7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

C17H18F3N3O — CID 67154905

IUPAC7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
SMILESC1CC2CCC1N2.O=c1ccc(-c2cccc(C(F)(F)F)c2)n[nH]1
InChIInChI=1S/C11H7F3N2O.C6H11N/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-10(17)16-15-9;1-2-6-4-3-5(1)7-6/h1-6H,(H,16,17);5-7H,1-4H2
InChIKeyQYAKUOIFASAHLX-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.36
Rot. Bonds1

About 7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one (PubChem CID 67154905) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
PubChem CID67154905
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
SMILESC1CC2CCC1N2.O=c1ccc(-c2cccc(C(F)(F)F)c2)n[nH]1
InChIInChI=1S/C11H7F3N2O.C6H11N/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-10(17)16-15-9;1-2-6-4-3-5(1)7-6/h1-6H,(H,16,17);5-7H,1-4H2
InChIKeyQYAKUOIFASAHLX-UHFFFAOYSA-N
XLogP3.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 117127130
3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 10682335
3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carbaldehyde
CID 62111840
2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one
CID 70930857
[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-[[3-(trifluoromethyl)phenyl]methyl]carbamothioic S-acid
CID 88724871
2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one
CID 154521414
4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 74237104
methyl 3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
CID 121205112
2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 72698972
3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 13365874
6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67173582
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 49034868

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one (CID 67154905) is 7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one is C1CC2CCC1N2.O=c1ccc(-c2cccc(C(F)(F)F)c2)n[nH]1.
What is the InChIKey of 7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one?
The InChIKey is QYAKUOIFASAHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O.C6H11N/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-10(17)16-15-9;1-2-6-4-3-5(1)7-6/h1-6H,(H,16,17);5-7H,1-4H2.
What are the key properties of 7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one?
7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one has a molecular weight of 337.35 g/mol, XLogP of 3.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 67154905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).