6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C12H5Cl2F3N4O — CID 12900549

IUPAC6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Oc3cc(Cl)ccc3Cl)nn12
InChIInChI=1S/C12H5Cl2F3N4O/c13-6-1-2-7(14)8(5-6)22-10-4-3-9-18-19-11(12(15,16)17)21(9)20-10/h1-5H
InChIKeySEMVWWXCOFOYOR-UHFFFAOYSA-N
MW349.10 g/mol
LogP4.24
Rot. Bonds2

About 6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 12900549) has the molecular formula C12H5Cl2F3N4O and a molecular weight of 349.10 g/mol. Its IUPAC name is 6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID12900549
Molecular FormulaC12H5Cl2F3N4O
Molecular Weight349.10 g/mol
Exact Mass347.98
IUPAC Name6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Oc3cc(Cl)ccc3Cl)nn12
InChIInChI=1S/C12H5Cl2F3N4O/c13-6-1-2-7(14)8(5-6)22-10-4-3-9-18-19-11(12(15,16)17)21(9)20-10/h1-5H
InChIKeySEMVWWXCOFOYOR-UHFFFAOYSA-N
XLogP4.24
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.10
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 12900549) is 6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(Oc3cc(Cl)ccc3Cl)nn12.
What is the InChIKey of 6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is SEMVWWXCOFOYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2F3N4O/c13-6-1-2-7(14)8(5-6)22-10-4-3-9-18-19-11(12(15,16)17)21(9)20-10/h1-5H.
What are the key properties of 6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 349.10 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 12900549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).