4-[3-(4-fluorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-4-yl]pyridin-2-amine

C20H12F4N8 — CID 10048870

IUPAC4-[3-(4-fluorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cn(-c3ccc4nnc(C(F)(F)F)n4n3)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C20H12F4N8/c21-13-3-1-11(2-4-13)18-14(12-7-8-26-15(25)9-12)10-31(30-18)17-6-5-16-27-28-19(20(22,23)24)32(16)29-17/h1-10H,(H2,25,26)
InChIKeyWUFCKNHLYXOJSC-UHFFFAOYSA-N
MW440.36 g/mol
LogP3.78
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-4-yl]pyridin-2-amine

4-[3-(4-fluorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-4-yl]pyridin-2-amine (PubChem CID 10048870) has the molecular formula C20H12F4N8 and a molecular weight of 440.36 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-4-yl]pyridin-2-amine
PubChem CID10048870
Molecular FormulaC20H12F4N8
Molecular Weight440.36 g/mol
Exact Mass440.11
IUPAC Name4-[3-(4-fluorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cn(-c3ccc4nnc(C(F)(F)F)n4n3)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C20H12F4N8/c21-13-3-1-11(2-4-13)18-14(12-7-8-26-15(25)9-12)10-31(30-18)17-6-5-16-27-28-19(20(22,23)24)32(16)29-17/h1-10H,(H2,25,26)
InChIKeyWUFCKNHLYXOJSC-UHFFFAOYSA-N
XLogP3.78
TPSA99.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-4-yl]pyridin-2-amine (CID 10048870) is 4-[3-(4-fluorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-4-yl]pyridin-2-amine is Nc1cc(-c2cn(-c3ccc4nnc(C(F)(F)F)n4n3)nc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-4-yl]pyridin-2-amine?
The InChIKey is WUFCKNHLYXOJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N8/c21-13-3-1-11(2-4-13)18-14(12-7-8-26-15(25)9-12)10-31(30-18)17-6-5-16-27-28-19(20(22,23)24)32(16)29-17/h1-10H,(H2,25,26).
What are the key properties of 4-[3-(4-fluorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-4-yl]pyridin-2-amine?
4-[3-(4-fluorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-4-yl]pyridin-2-amine has a molecular weight of 440.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 10048870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).