3-amino-6-ethyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

C13H12F3N3O — CID 14820814

IUPAC3-amino-6-ethyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCCc1cc(=O)c(N)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O/c1-2-9-7-11(20)12(17)18-19(9)10-5-3-4-8(6-10)13(14,15)16/h3-7H,2H2,1H3,(H2,17,18)
InChIKeyZXRWVRHHFDWMNA-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.40
Rot. Bonds2

About 3-amino-6-ethyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

3-amino-6-ethyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (PubChem CID 14820814) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-amino-6-ethyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name3-amino-6-ethyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
PubChem CID14820814
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name3-amino-6-ethyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCCc1cc(=O)c(N)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O/c1-2-9-7-11(20)12(17)18-19(9)10-5-3-4-8(6-10)13(14,15)16/h3-7H,2H2,1H3,(H2,17,18)
InChIKeyZXRWVRHHFDWMNA-UHFFFAOYSA-N
XLogP2.40
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-[3-(trifluoromethyl)phenyl]-1,5-dihydro-6H-pyrazolo[4,3-c]pyridazin-6-one
CID 6412478
3,4-Pyridazinedione, 1,2-dihydro-6-methyl-1-(3-(trifluoromethyl)phenyl)-
CID 3073144
4(1H)-Pyridazinone, 3-methoxy-6-methyl-1-(3-(trifluoromethyl)phenyl)-
CID 3073145
4(1H)-Pyridazinone, 3-(acetyloxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)-
CID 3073146
4(1H)-Pyridazinone, 3-ethoxy-6-methyl-1-(3-(trifluoromethyl)phenyl)-
CID 3073147
4(1H)-Pyridazinone, 6-methyl-3-(2-propenyloxy)-1-(3-(trifluoromethyl)phenyl)-
CID 3073148
4(1H)-Pyridazinone, 3-methoxy-6-methyl-1-(3-methylphenyl)-
CID 3073156
F 2692
CID 125591
3-Amino-1-(3-trifluoromethylphenyl)-6-methyl-1H-pyridazin-4-one
CID 10221045
(3Z)-4-{[3-(trifluoromethyl)phenyl]amino}pent-3-en-2-one
CID 5704675
(E)-4-[3-(trifluoromethyl)anilino]pent-3-en-2-one
CID 6310071
Trifluoro-m-tolyl-3-(2h) pyridazinone
CID 129713653

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The IUPAC name of 3-amino-6-ethyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (CID 14820814) is 3-amino-6-ethyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.
What is the SMILES notation for 3-amino-6-ethyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The canonical SMILES for 3-amino-6-ethyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is CCc1cc(=O)c(N)nn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-6-ethyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The InChIKey is ZXRWVRHHFDWMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-2-9-7-11(20)12(17)18-19(9)10-5-3-4-8(6-10)13(14,15)16/h3-7H,2H2,1H3,(H2,17,18).
What are the key properties of 3-amino-6-ethyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
3-amino-6-ethyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one has a molecular weight of 283.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-ethyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is sourced from PubChem (CID 14820814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).