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

C14H8F6N4O2 — CID 134555549

IUPAC6-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C14H8F6N4O2/c1-25-10-6-7(26-14(18,19)20)2-3-8(10)9-4-5-11-21-22-12(13(15,16)17)24(11)23-9/h2-6H,1H3
InChIKeyWVTWVOJRFMLDQV-UHFFFAOYSA-N
MW378.23 g/mol
LogP3.72
Rot. Bonds3

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

6-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134555549) has the molecular formula C14H8F6N4O2 and a molecular weight of 378.23 g/mol. Its IUPAC name is 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134555549
Molecular FormulaC14H8F6N4O2
Molecular Weight378.23 g/mol
Exact Mass378.06
IUPAC Name6-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C14H8F6N4O2/c1-25-10-6-7(26-14(18,19)20)2-3-8(10)9-4-5-11-21-22-12(13(15,16)17)24(11)23-9/h2-6H,1H3
InChIKeyWVTWVOJRFMLDQV-UHFFFAOYSA-N
XLogP3.72
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 134555549) is 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WVTWVOJRFMLDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N4O2/c1-25-10-6-7(26-14(18,19)20)2-3-8(10)9-4-5-11-21-22-12(13(15,16)17)24(11)23-9/h2-6H,1H3.
What are the key properties of 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 378.23 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134555549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).