3-(2,2,2-trifluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

C14H8F6N4O — CID 134555550

IUPAC3-(2,2,2-trifluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)Cc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)nn12
InChIInChI=1S/C14H8F6N4O/c15-13(16,17)7-12-22-21-11-6-5-10(23-24(11)12)8-1-3-9(4-2-8)25-14(18,19)20/h1-6H,7H2
InChIKeyHSQKSPCRPFFSET-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.79
Rot. Bonds3

About 3-(2,2,2-trifluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

3-(2,2,2-trifluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134555550) has the molecular formula C14H8F6N4O and a molecular weight of 362.23 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134555550
Molecular FormulaC14H8F6N4O
Molecular Weight362.23 g/mol
Exact Mass362.06
IUPAC Name3-(2,2,2-trifluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)Cc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)nn12
InChIInChI=1S/C14H8F6N4O/c15-13(16,17)7-12-22-21-11-6-5-10(23-24(11)12)8-1-3-9(4-2-8)25-14(18,19)20/h1-6H,7H2
InChIKeyHSQKSPCRPFFSET-UHFFFAOYSA-N
XLogP3.79
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 134555550) is 3-(2,2,2-trifluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)Cc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)nn12.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is HSQKSPCRPFFSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N4O/c15-13(16,17)7-12-22-21-11-6-5-10(23-24(11)12)8-1-3-9(4-2-8)25-14(18,19)20/h1-6H,7H2.
What are the key properties of 3-(2,2,2-trifluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-(2,2,2-trifluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 362.23 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134555550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).