[6-[(2,4-difluorophenyl)methylamino]pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

C19H12F5N3O — CID 134539236

IUPAC[6-[(2,4-difluorophenyl)methylamino]pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1ccc(NCc2ccc(F)cc2F)nn1
InChIInChI=1S/C19H12F5N3O/c20-14-5-4-12(15(21)9-14)10-25-17-7-6-16(26-27-17)18(28)11-2-1-3-13(8-11)19(22,23)24/h1-9H,10H2,(H,25,27)
InChIKeyJTXVHBQUNISMDN-UHFFFAOYSA-N
MW393.32 g/mol
LogP4.62
Rot. Bonds5

About [6-[(2,4-difluorophenyl)methylamino]pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

[6-[(2,4-difluorophenyl)methylamino]pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 134539236) has the molecular formula C19H12F5N3O and a molecular weight of 393.32 g/mol. Its IUPAC name is [6-[(2,4-difluorophenyl)methylamino]pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[6-[(2,4-difluorophenyl)methylamino]pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID134539236
Molecular FormulaC19H12F5N3O
Molecular Weight393.32 g/mol
Exact Mass393.09
IUPAC Name[6-[(2,4-difluorophenyl)methylamino]pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1ccc(NCc2ccc(F)cc2F)nn1
InChIInChI=1S/C19H12F5N3O/c20-14-5-4-12(15(21)9-14)10-25-17-7-6-16(26-27-17)18(28)11-2-1-3-13(8-11)19(22,23)24/h1-9H,10H2,(H,25,27)
InChIKeyJTXVHBQUNISMDN-UHFFFAOYSA-N
XLogP4.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(2,4-difluorophenyl)methylamino]pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [6-[(2,4-difluorophenyl)methylamino]pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 134539236) is [6-[(2,4-difluorophenyl)methylamino]pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [6-[(2,4-difluorophenyl)methylamino]pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [6-[(2,4-difluorophenyl)methylamino]pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)c1ccc(NCc2ccc(F)cc2F)nn1.
What is the InChIKey of [6-[(2,4-difluorophenyl)methylamino]pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is JTXVHBQUNISMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N3O/c20-14-5-4-12(15(21)9-14)10-25-17-7-6-16(26-27-17)18(28)11-2-1-3-13(8-11)19(22,23)24/h1-9H,10H2,(H,25,27).
What are the key properties of [6-[(2,4-difluorophenyl)methylamino]pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
[6-[(2,4-difluorophenyl)methylamino]pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 393.32 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,4-difluorophenyl)methylamino]pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 134539236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).