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

C28H18F12N10O2 — CID 142362411

IUPAC6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(OCC(F)(F)F)ncc1-c1ccc2nnc(C(F)(F)F)n2n1.Cc1nc(OCC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/2C14H9F6N5O/c1-7-8(2-5-11(21-7)26-6-13(15,16)17)9-3-4-10-22-23-12(14(18,19)20)25(10)24-9;1-7-4-11(26-6-13(15,16)17)21-5-8(7)9-2-3-10-22-23-12(14(18,19)20)25(10)24-9/h2*2-5H,6H2,1H3
InChIKeyIOADJSJIEUKWAZ-UHFFFAOYSA-N
MW754.50 g/mol
LogP6.91
Rot. Bonds6

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

6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 142362411) has the molecular formula C28H18F12N10O2 and a molecular weight of 754.50 g/mol. Its IUPAC name is 6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID142362411
Molecular FormulaC28H18F12N10O2
Molecular Weight754.50 g/mol
Exact Mass754.14
IUPAC Name6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(OCC(F)(F)F)ncc1-c1ccc2nnc(C(F)(F)F)n2n1.Cc1nc(OCC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/2C14H9F6N5O/c1-7-8(2-5-11(21-7)26-6-13(15,16)17)9-3-4-10-22-23-12(14(18,19)20)25(10)24-9;1-7-4-11(26-6-13(15,16)17)21-5-8(7)9-2-3-10-22-23-12(14(18,19)20)25(10)24-9/h2*2-5H,6H2,1H3
InChIKeyIOADJSJIEUKWAZ-UHFFFAOYSA-N
XLogP6.91
TPSA130.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500754.50
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

Methyl substituted pyrazole, 28
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4-[[5-(1,6-Dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-2-pyridinyl]oxymethyl]bicyclo[2.2.2]octan-1-amine
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CID 9864216
3,7-Diphenyl-6-(2-pyridyl)methyloxy-1,2,4-triazolo[4,3-b]pyridazine
CID 9917995
N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 10159318
6-Pyridin-3-yl-9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11269112
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
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Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 142362411) is 6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc(OCC(F)(F)F)ncc1-c1ccc2nnc(C(F)(F)F)n2n1.Cc1nc(OCC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of 6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is IOADJSJIEUKWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H9F6N5O/c1-7-8(2-5-11(21-7)26-6-13(15,16)17)9-3-4-10-22-23-12(14(18,19)20)25(10)24-9;1-7-4-11(26-6-13(15,16)17)21-5-8(7)9-2-3-10-22-23-12(14(18,19)20)25(10)24-9/h2*2-5H,6H2,1H3.
What are the key properties of 6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 754.50 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 142362411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).