N-[4-(trifluoromethyl)phenyl]-7-[4-(trifluoromethyl)pyridazin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

C17H9F6N7 — CID 87910275

IUPACN-[4-(trifluoromethyl)phenyl]-7-[4-(trifluoromethyl)pyridazin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESFC(F)(F)c1ccc(Nc2nnc3cc(-c4nnccc4C(F)(F)F)cnn23)cc1
InChIInChI=1S/C17H9F6N7/c18-16(19,20)10-1-3-11(4-2-10)26-15-29-27-13-7-9(8-25-30(13)15)14-12(17(21,22)23)5-6-24-28-14/h1-8H,(H,26,29)
InChIKeyNGDVKHLVKUKCOF-UHFFFAOYSA-N
MW425.30 g/mol
LogP4.36
Rot. Bonds3

About N-[4-(trifluoromethyl)phenyl]-7-[4-(trifluoromethyl)pyridazin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

N-[4-(trifluoromethyl)phenyl]-7-[4-(trifluoromethyl)pyridazin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 87910275) has the molecular formula C17H9F6N7 and a molecular weight of 425.30 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-7-[4-(trifluoromethyl)pyridazin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-7-[4-(trifluoromethyl)pyridazin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID87910275
Molecular FormulaC17H9F6N7
Molecular Weight425.30 g/mol
Exact Mass425.08
IUPAC NameN-[4-(trifluoromethyl)phenyl]-7-[4-(trifluoromethyl)pyridazin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESFC(F)(F)c1ccc(Nc2nnc3cc(-c4nnccc4C(F)(F)F)cnn23)cc1
InChIInChI=1S/C17H9F6N7/c18-16(19,20)10-1-3-11(4-2-10)26-15-29-27-13-7-9(8-25-30(13)15)14-12(17(21,22)23)5-6-24-28-14/h1-8H,(H,26,29)
InChIKeyNGDVKHLVKUKCOF-UHFFFAOYSA-N
XLogP4.36
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.30
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile
CID 69458557
7-[4-(trifluoromethyl)anilino]-3-[3-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-b]pyridazine-5-carbonitrile
CID 87839886
3-(3-methyl-2-pyridinyl)-7-[4-(trifluoromethyl)anilino]imidazo[1,5-b]pyridazine-5-carbonitrile
CID 69456290
1-[3-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-5-ium-5-yl]ethyl 2,2-dimethylpropanoate
CID 11330758
1,1,1-trifluoro-N-[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-2-imine
CID 90790348
2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 175930738
3-(2-ethynylpyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 169108506
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 154659659
3-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-one
CID 154206202
3-(2-ethoxypyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 169108464
2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030297

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-7-[4-(trifluoromethyl)pyridazin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-7-[4-(trifluoromethyl)pyridazin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 87910275) is N-[4-(trifluoromethyl)phenyl]-7-[4-(trifluoromethyl)pyridazin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-7-[4-(trifluoromethyl)pyridazin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-7-[4-(trifluoromethyl)pyridazin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is FC(F)(F)c1ccc(Nc2nnc3cc(-c4nnccc4C(F)(F)F)cnn23)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-7-[4-(trifluoromethyl)pyridazin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is NGDVKHLVKUKCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F6N7/c18-16(19,20)10-1-3-11(4-2-10)26-15-29-27-13-7-9(8-25-30(13)15)14-12(17(21,22)23)5-6-24-28-14/h1-8H,(H,26,29).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-7-[4-(trifluoromethyl)pyridazin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
N-[4-(trifluoromethyl)phenyl]-7-[4-(trifluoromethyl)pyridazin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 425.30 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-7-[4-(trifluoromethyl)pyridazin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 87910275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).