3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C28H17F11N10O2 — CID 142362478

IUPAC3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)cnc1OCC(F)(F)F.Fc1cc(-c2ccc3nnc(C4CC4)n3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C15H11F4N5O.C13H6F7N5O/c16-10-5-9(6-20-14(10)25-7-15(17,18)19)11-3-4-12-21-22-13(8-1-2-8)24(12)23-11;14-7-3-6(4-21-10(7)26-5-12(15,16)17)8-1-2-9-22-23-11(13(18,19)20)25(9)24-8/h3-6,8H,1-2,7H2;1-4H,5H2
InChIKeyMZTRAKCGDDDKHY-UHFFFAOYSA-N
MW734.49 g/mol
LogP6.43
Rot. Bonds7

About 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 142362478) has the molecular formula C28H17F11N10O2 and a molecular weight of 734.49 g/mol. Its IUPAC name is 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID142362478
Molecular FormulaC28H17F11N10O2
Molecular Weight734.49 g/mol
Exact Mass734.14
IUPAC Name3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)cnc1OCC(F)(F)F.Fc1cc(-c2ccc3nnc(C4CC4)n3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C15H11F4N5O.C13H6F7N5O/c16-10-5-9(6-20-14(10)25-7-15(17,18)19)11-3-4-12-21-22-13(8-1-2-8)24(12)23-11;14-7-3-6(4-21-10(7)26-5-12(15,16)17)8-1-2-9-22-23-11(13(18,19)20)25(9)24-8/h3-6,8H,1-2,7H2;1-4H,5H2
InChIKeyMZTRAKCGDDDKHY-UHFFFAOYSA-N
XLogP6.43
TPSA130.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500734.49
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

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4-(3-(4-fluorobenzyl)-3,4-dihydro-5-oxa-1,2,2a1-triazaacenaphthylen-7-yl)-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine
CID 118146160
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CID 118200126

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 142362478) is 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Fc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)cnc1OCC(F)(F)F.Fc1cc(-c2ccc3nnc(C4CC4)n3n2)cnc1OCC(F)(F)F.
What is the InChIKey of 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is MZTRAKCGDDDKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N5O.C13H6F7N5O/c16-10-5-9(6-20-14(10)25-7-15(17,18)19)11-3-4-12-21-22-13(8-1-2-8)24(12)23-11;14-7-3-6(4-21-10(7)26-5-12(15,16)17)8-1-2-9-22-23-11(13(18,19)20)25(9)24-8/h3-6,8H,1-2,7H2;1-4H,5H2.
What are the key properties of 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 734.49 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 142362478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).