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

C15H10F6N4O2 — CID 134555502

IUPAC6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOCc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)ccc1OC(F)(F)F
InChIInChI=1S/C15H10F6N4O2/c1-26-7-9-6-8(2-4-11(9)27-15(19,20)21)10-3-5-12-22-23-13(14(16,17)18)25(12)24-10/h2-6H,7H2,1H3
InChIKeyCRRFOABOXGRRDO-UHFFFAOYSA-N
MW392.26 g/mol
LogP3.86
Rot. Bonds4

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

6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134555502) has the molecular formula C15H10F6N4O2 and a molecular weight of 392.26 g/mol. Its IUPAC name is 6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134555502
Molecular FormulaC15H10F6N4O2
Molecular Weight392.26 g/mol
Exact Mass392.07
IUPAC Name6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOCc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)ccc1OC(F)(F)F
InChIInChI=1S/C15H10F6N4O2/c1-26-7-9-6-8(2-4-11(9)27-15(19,20)21)10-3-5-12-22-23-13(14(16,17)18)25(12)24-10/h2-6H,7H2,1H3
InChIKeyCRRFOABOXGRRDO-UHFFFAOYSA-N
XLogP3.86
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 134555502) is 6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is COCc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)ccc1OC(F)(F)F.
What is the InChIKey of 6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is CRRFOABOXGRRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N4O2/c1-26-7-9-6-8(2-4-11(9)27-15(19,20)21)10-3-5-12-22-23-13(14(16,17)18)25(12)24-10/h2-6H,7H2,1H3.
What are the key properties of 6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 392.26 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134555502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).