3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

C11H6ClFN4 — CID 67524771

IUPAC3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cccc(-c2ccc3nnc(Cl)n3n2)c1
InChIInChI=1S/C11H6ClFN4/c12-11-15-14-10-5-4-9(16-17(10)11)7-2-1-3-8(13)6-7/h1-6H
InChIKeyFRPVVSKEESBMAL-UHFFFAOYSA-N
MW248.65 g/mol
LogP2.58
Rot. Bonds1

About 3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 67524771) has the molecular formula C11H6ClFN4 and a molecular weight of 248.65 g/mol. Its IUPAC name is 3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID67524771
Molecular FormulaC11H6ClFN4
Molecular Weight248.65 g/mol
Exact Mass248.03
IUPAC Name3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cccc(-c2ccc3nnc(Cl)n3n2)c1
InChIInChI=1S/C11H6ClFN4/c12-11-15-14-10-5-4-9(16-17(10)11)7-2-1-3-8(13)6-7/h1-6H
InChIKeyFRPVVSKEESBMAL-UHFFFAOYSA-N
XLogP2.58
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.65
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 67524771) is 3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine is Fc1cccc(-c2ccc3nnc(Cl)n3n2)c1.
What is the InChIKey of 3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is FRPVVSKEESBMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4/c12-11-15-14-10-5-4-9(16-17(10)11)7-2-1-3-8(13)6-7/h1-6H.
What are the key properties of 3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 248.65 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 67524771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).