4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile

C18H10F3N7 — CID 69458557

IUPAC4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2nnc3cc(-c4ncccc4C(F)(F)F)cnn23)cc1
InChIInChI=1S/C18H10F3N7/c19-18(20,21)14-2-1-7-23-16(14)12-8-15-26-27-17(28(15)24-10-12)25-13-5-3-11(9-22)4-6-13/h1-8,10H,(H,25,27)
InChIKeyMUXZTQOZKKWZAI-UHFFFAOYSA-N
MW381.32 g/mol
LogP3.82
Rot. Bonds3

About 4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile

4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile (PubChem CID 69458557) has the molecular formula C18H10F3N7 and a molecular weight of 381.32 g/mol. Its IUPAC name is 4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile
PubChem CID69458557
Molecular FormulaC18H10F3N7
Molecular Weight381.32 g/mol
Exact Mass381.09
IUPAC Name4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2nnc3cc(-c4ncccc4C(F)(F)F)cnn23)cc1
InChIInChI=1S/C18H10F3N7/c19-18(20,21)14-2-1-7-23-16(14)12-8-15-26-27-17(28(15)24-10-12)25-13-5-3-11(9-22)4-6-13/h1-8,10H,(H,25,27)
InChIKeyMUXZTQOZKKWZAI-UHFFFAOYSA-N
XLogP3.82
TPSA91.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile with MolForge

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Related Compounds

7-[4-(trifluoromethyl)anilino]-3-[3-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-b]pyridazine-5-carbonitrile
CID 87839886
N-[4-(trifluoromethyl)phenyl]-7-[4-(trifluoromethyl)pyridazin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 87910275
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
4-[[2-methoxy-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]benzonitrile
CID 174467133
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
N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine
CID 10288340
5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 11653355
4-[[3-[2-(trifluoromethyl)anilino]-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112968194
2-(4-bromophenyl)-3-(trifluoromethyl)pyridine
CID 22030268
N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 10216740
4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine
CID 58945607

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile?
The IUPAC name of 4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile (CID 69458557) is 4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile?
The canonical SMILES for 4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile is N#Cc1ccc(Nc2nnc3cc(-c4ncccc4C(F)(F)F)cnn23)cc1.
What is the InChIKey of 4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile?
The InChIKey is MUXZTQOZKKWZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N7/c19-18(20,21)14-2-1-7-23-16(14)12-8-15-26-27-17(28(15)24-10-12)25-13-5-3-11(9-22)4-6-13/h1-8,10H,(H,25,27).
What are the key properties of 4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile?
4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile has a molecular weight of 381.32 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile is sourced from PubChem (CID 69458557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).