3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

C58H42F21N19O4 — CID 161124045

IUPAC3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)c(F)c3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OCC(F)(F)F)nc3)nn12.CC(Oc1ccc(-c2ccc3nnc(C(C)(F)F)n3n2)cn1)C(F)(F)F.Cc1cc(-c2ccc3nnc(C(C)(F)F)n3n2)cnc1OCC(F)(F)F
InChIInChI=1S/2C15H12F5N5O.C14H8F6N4O.C14H10F5N5O/c1-8(15(18,19)20)26-12-6-3-9(7-21-12)10-4-5-11-22-23-13(14(2,16)17)25(11)24-10;1-8-5-9(6-21-12(8)26-7-15(18,19)20)10-3-4-11-22-23-13(14(2,16)17)25(11)24-10;1-13(16,17)12-22-21-11-5-3-9(23-24(11)12)7-2-4-10(8(15)6-7)25-14(18,19)20;1-13(15,16)12-22-21-10-4-3-9(23-24(10)12)8-2-5-11(20-6-8)25-7-14(17,18)19/h3-8H,1-2H3;3-6H,7H2,1-2H3;2-6H,1H3;2-6H,7H2,1H3
InChIKeyULHZSGPWVRNPCJ-UHFFFAOYSA-N
MW1468.06 g/mol
LogP14.35
Rot. Bonds15

About 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 161124045) has the molecular formula C58H42F21N19O4 and a molecular weight of 1468.06 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID161124045
Molecular FormulaC58H42F21N19O4
Molecular Weight1468.06 g/mol
Exact Mass1467.33
IUPAC Name3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)c(F)c3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OCC(F)(F)F)nc3)nn12.CC(Oc1ccc(-c2ccc3nnc(C(C)(F)F)n3n2)cn1)C(F)(F)F.Cc1cc(-c2ccc3nnc(C(C)(F)F)n3n2)cnc1OCC(F)(F)F
InChIInChI=1S/2C15H12F5N5O.C14H8F6N4O.C14H10F5N5O/c1-8(15(18,19)20)26-12-6-3-9(7-21-12)10-4-5-11-22-23-13(14(2,16)17)25(11)24-10;1-8-5-9(6-21-12(8)26-7-15(18,19)20)10-3-4-11-22-23-13(14(2,16)17)25(11)24-10;1-13(16,17)12-22-21-11-5-3-9(23-24(11)12)7-2-4-10(8(15)6-7)25-14(18,19)20;1-13(15,16)12-22-21-10-4-3-9(23-24(10)12)8-2-5-11(20-6-8)25-7-14(17,18)19/h3-8H,1-2H3;3-6H,7H2,1-2H3;2-6H,1H3;2-6H,7H2,1H3
InChIKeyULHZSGPWVRNPCJ-UHFFFAOYSA-N
XLogP14.35
TPSA247.91 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001468.06
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

6-[4-[4-[2-(1-methyl-1H-pyrazol-5-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 42635876
(S)-4-(5-(3-fluoro-4-(2-morpholinoethoxy)phenyl)pyrimidin-2-yl)-2-((6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl)morpholine
CID 118364799
6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 153327364
6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 153327369
4-[5-[2-(3-Fluorophenoxy)-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168921712
4-(5-(2-(4-Fluorophenoxy) pyridin-3-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 169905448
4-(difluoromethyl)-1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-methyl-6-(1-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-b]pyridine
CID 19916333
2-[4-[2-(4-Fluorophenyl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-5-methylpyrazol-3-amine
CID 10140805
4-(4-Benzyloxyphenyl)-6-(4-fluorophenyl)-2-methyl-5-(4-pyridyl)pyrazolo[3,4-b]pyridine
CID 10435507
2-{4-[4-Pyridin-4-yl-1-(2,2,2-trifluoro-ethyl)-1-H-pyrazol-3-yl]-phenoxymethyl}-[1,2,4]triazolo[1,5-a]pyridine
CID 23648677
5-[3-[4-(3-Pyridin-4-ylpropoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 59613243
3-[3-Fluoro-4-(pyridin-4-ylmethoxy)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 59981352

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 161124045) is 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)c(F)c3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OCC(F)(F)F)nc3)nn12.CC(Oc1ccc(-c2ccc3nnc(C(C)(F)F)n3n2)cn1)C(F)(F)F.Cc1cc(-c2ccc3nnc(C(C)(F)F)n3n2)cnc1OCC(F)(F)F.
What is the InChIKey of 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ULHZSGPWVRNPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H12F5N5O.C14H8F6N4O.C14H10F5N5O/c1-8(15(18,19)20)26-12-6-3-9(7-21-12)10-4-5-11-22-23-13(14(2,16)17)25(11)24-10;1-8-5-9(6-21-12(8)26-7-15(18,19)20)10-3-4-11-22-23-13(14(2,16)17)25(11)24-10;1-13(16,17)12-22-21-11-5-3-9(23-24(11)12)7-2-4-10(8(15)6-7)25-14(18,19)20;1-13(15,16)12-22-21-10-4-3-9(23-24(10)12)8-2-5-11(20-6-8)25-7-14(17,18)19/h3-8H,1-2H3;3-6H,7H2,1-2H3;2-6H,1H3;2-6H,7H2,1H3.
What are the key properties of 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 1468.06 g/mol, XLogP of 14.35, 15 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 161124045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).