5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

C11H8F3N3O — CID 117127130

IUPAC5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)n[nH]c1=O
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-3-1-2-6(4-7)9-5-8(15)10(18)17-16-9/h1-5H,(H2,15,16)(H,17,18)
InChIKeyQCBBHXMRLBEWGC-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.04
Rot. Bonds1

About 5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one (PubChem CID 117127130) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
PubChem CID117127130
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)n[nH]c1=O
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-3-1-2-6(4-7)9-5-8(15)10(18)17-16-9/h1-5H,(H2,15,16)(H,17,18)
InChIKeyQCBBHXMRLBEWGC-UHFFFAOYSA-N
XLogP2.04
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
methyl 3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
CID 121205112
7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 67154905
2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one
CID 154521414
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 10682335
4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091903
5-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one;hydrochloride
CID 141001712
methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134635397
potassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
CID 161274027
2-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]aniline
CID 54772723

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one (CID 117127130) is 5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one is Nc1cc(-c2cccc(C(F)(F)F)c2)n[nH]c1=O.
What is the InChIKey of 5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one?
The InChIKey is QCBBHXMRLBEWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)7-3-1-2-6(4-7)9-5-8(15)10(18)17-16-9/h1-5H,(H2,15,16)(H,17,18).
What are the key properties of 5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one?
5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one has a molecular weight of 255.20 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 117127130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).