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

C14H9F5N4O2 — CID 134555446

IUPAC3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)F)n2n1
InChIInChI=1S/C14H9F5N4O2/c1-24-10-6-7(25-14(17,18)19)2-3-8(10)9-4-5-11-20-21-13(12(15)16)23(11)22-9/h2-6,12H,1H3
InChIKeyTVTKIKZHAWJAES-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.64
Rot. Bonds4

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

3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134555446) has the molecular formula C14H9F5N4O2 and a molecular weight of 360.24 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134555446
Molecular FormulaC14H9F5N4O2
Molecular Weight360.24 g/mol
Exact Mass360.06
IUPAC Name3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)F)n2n1
InChIInChI=1S/C14H9F5N4O2/c1-24-10-6-7(25-14(17,18)19)2-3-8(10)9-4-5-11-20-21-13(12(15)16)23(11)22-9/h2-6,12H,1H3
InChIKeyTVTKIKZHAWJAES-UHFFFAOYSA-N
XLogP3.64
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 134555446) is 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)F)n2n1.
What is the InChIKey of 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is TVTKIKZHAWJAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5N4O2/c1-24-10-6-7(25-14(17,18)19)2-3-8(10)9-4-5-11-20-21-13(12(15)16)23(11)22-9/h2-6,12H,1H3.
What are the key properties of 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 360.24 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134555446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).