3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane

C34H36F10N10O2 — CID 142362322

IUPAC3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane
SMILESCC.CC.Cc1cc(OCC(F)(F)F)ncc1-c1ccc2nnc(C(C)(F)F)n2n1.Cc1nc(OCC(F)(F)F)ccc1-c1ccc2nnc(C(C)(F)F)n2n1
InChIInChI=1S/2C15H12F5N5O.2C2H6/c1-8-9(3-6-12(21-8)26-7-15(18,19)20)10-4-5-11-22-23-13(14(2,16)17)25(11)24-10;1-8-5-12(26-7-15(18,19)20)21-6-9(8)10-3-4-11-22-23-13(14(2,16)17)25(11)24-10;2*1-2/h2*3-6H,7H2,1-2H3;2*1-2H3
InChIKeyZKWSOYWHCQRYJB-UHFFFAOYSA-N
MW806.71 g/mol
LogP9.15
Rot. Bonds8

About 3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane

3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane (PubChem CID 142362322) has the molecular formula C34H36F10N10O2 and a molecular weight of 806.71 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane
PubChem CID142362322
Molecular FormulaC34H36F10N10O2
Molecular Weight806.71 g/mol
Exact Mass806.29
IUPAC Name3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane
SMILESCC.CC.Cc1cc(OCC(F)(F)F)ncc1-c1ccc2nnc(C(C)(F)F)n2n1.Cc1nc(OCC(F)(F)F)ccc1-c1ccc2nnc(C(C)(F)F)n2n1
InChIInChI=1S/2C15H12F5N5O.2C2H6/c1-8-9(3-6-12(21-8)26-7-15(18,19)20)10-4-5-11-22-23-13(14(2,16)17)25(11)24-10;1-8-5-12(26-7-15(18,19)20)21-6-9(8)10-3-4-11-22-23-13(14(2,16)17)25(11)24-10;2*1-2/h2*3-6H,7H2,1-2H3;2*1-2H3
InChIKeyZKWSOYWHCQRYJB-UHFFFAOYSA-N
XLogP9.15
TPSA130.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500806.71
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane 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 118146223

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
The IUPAC name of 3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane (CID 142362322) is 3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
The canonical SMILES for 3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane is CC.CC.Cc1cc(OCC(F)(F)F)ncc1-c1ccc2nnc(C(C)(F)F)n2n1.Cc1nc(OCC(F)(F)F)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.
What is the InChIKey of 3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
The InChIKey is ZKWSOYWHCQRYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H12F5N5O.2C2H6/c1-8-9(3-6-12(21-8)26-7-15(18,19)20)10-4-5-11-22-23-13(14(2,16)17)25(11)24-10;1-8-5-12(26-7-15(18,19)20)21-6-9(8)10-3-4-11-22-23-13(14(2,16)17)25(11)24-10;2*1-2/h2*3-6H,7H2,1-2H3;2*1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane has a molecular weight of 806.71 g/mol, XLogP of 9.15, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane is sourced from PubChem (CID 142362322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).