3-amino-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one

C12H8F3N5O — CID 6412478

IUPAC3-amino-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESNc1n[nH]c2cc(=O)n(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C12H8F3N5O/c13-12(14,15)6-2-1-3-7(4-6)20-9(21)5-8-10(19-20)11(16)18-17-8/h1-5,17H,(H2,16,18)
InChIKeyIVRRWINXJQAQFQ-UHFFFAOYSA-N
MW295.22 g/mol
LogP1.71
Rot. Bonds1

About 3-amino-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one

3-amino-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 6412478) has the molecular formula C12H8F3N5O and a molecular weight of 295.22 g/mol. Its IUPAC name is 3-amino-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name3-amino-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID6412478
Molecular FormulaC12H8F3N5O
Molecular Weight295.22 g/mol
Exact Mass295.07
IUPAC Name3-amino-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESNc1n[nH]c2cc(=O)n(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C12H8F3N5O/c13-12(14,15)6-2-1-3-7(4-6)20-9(21)5-8-10(19-20)11(16)18-17-8/h1-5,17H,(H2,16,18)
InChIKeyIVRRWINXJQAQFQ-UHFFFAOYSA-N
XLogP1.71
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-5-[3-(trifluoromethyl)phenyl]-1,5-dihydro-6H-pyrazolo[4,3-c]pyridazin-6-one
CID 1478561
3-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-ol
CID 1093009
6-oxo-N-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxamide
CID 947010
4-Amino-5-ethenyl-6-phenyl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 44424955
3-Amino-1-(3-trifluoromethylphenyl)-6-methyl-1H-pyridazin-4-one
CID 10221045
Trifluoro-m-tolyl-3-(2h) pyridazinone
CID 129713653
5-phenyl-2-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3H-pyrazol-3-one
CID 890920
4-Cinnamylidene-5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one
CID 1105552
(4E)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one
CID 5441504
N-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]acetamide
CID 14820808
3-Amino-6-ethyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 14820814
[6-Methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]urea
CID 14820823

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 3-amino-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 6412478) is 3-amino-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 3-amino-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 3-amino-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one is Nc1n[nH]c2cc(=O)n(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of 3-amino-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is IVRRWINXJQAQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5O/c13-12(14,15)6-2-1-3-7(4-6)20-9(21)5-8-10(19-20)11(16)18-17-8/h1-5,17H,(H2,16,18).
What are the key properties of 3-amino-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
3-amino-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 295.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 6412478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).