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

C17H11FN4O — CID 2727440

IUPAC6-(4-fluorophenoxy)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1ccc(Oc2ccc3nnc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C17H11FN4O/c18-13-6-8-14(9-7-13)23-16-11-10-15-19-20-17(22(15)21-16)12-4-2-1-3-5-12/h1-11H
InChIKeyMEATVWYCPZCJEU-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.72
Rot. Bonds3

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

6-(4-fluorophenoxy)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 2727440) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-fluorophenoxy)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID2727440
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name6-(4-fluorophenoxy)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1ccc(Oc2ccc3nnc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C17H11FN4O/c18-13-6-8-14(9-7-13)23-16-11-10-15-19-20-17(22(15)21-16)12-4-2-1-3-5-12/h1-11H
InChIKeyMEATVWYCPZCJEU-UHFFFAOYSA-N
XLogP3.72
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenoxy)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-fluorophenoxy)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 2727440) is 6-(4-fluorophenoxy)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-fluorophenoxy)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-fluorophenoxy)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is Fc1ccc(Oc2ccc3nnc(-c4ccccc4)n3n2)cc1.
What is the InChIKey of 6-(4-fluorophenoxy)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is MEATVWYCPZCJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O/c18-13-6-8-14(9-7-13)23-16-11-10-15-19-20-17(22(15)21-16)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 6-(4-fluorophenoxy)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-fluorophenoxy)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 306.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 2727440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).