6-chloro-7-cyclobutyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

C15H12ClFN4 — CID 11066622

IUPAC6-chloro-7-cyclobutyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1ccccc1-c1nnc2cc(C3CCC3)c(Cl)nn12
InChIInChI=1S/C15H12ClFN4/c16-14-11(9-4-3-5-9)8-13-18-19-15(21(13)20-14)10-6-1-2-7-12(10)17/h1-2,6-9H,3-5H2
InChIKeyUILCVQZZLIAHOT-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.85
Rot. Bonds2

About 6-chloro-7-cyclobutyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-7-cyclobutyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 11066622) has the molecular formula C15H12ClFN4 and a molecular weight of 302.74 g/mol. Its IUPAC name is 6-chloro-7-cyclobutyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-7-cyclobutyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID11066622
Molecular FormulaC15H12ClFN4
Molecular Weight302.74 g/mol
Exact Mass302.07
IUPAC Name6-chloro-7-cyclobutyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1ccccc1-c1nnc2cc(C3CCC3)c(Cl)nn12
InChIInChI=1S/C15H12ClFN4/c16-14-11(9-4-3-5-9)8-13-18-19-15(21(13)20-14)10-6-1-2-7-12(10)17/h1-2,6-9H,3-5H2
InChIKeyUILCVQZZLIAHOT-UHFFFAOYSA-N
XLogP3.85
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-cyclobutyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-7-cyclobutyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 11066622) is 6-chloro-7-cyclobutyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-7-cyclobutyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-7-cyclobutyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine is Fc1ccccc1-c1nnc2cc(C3CCC3)c(Cl)nn12.
What is the InChIKey of 6-chloro-7-cyclobutyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is UILCVQZZLIAHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4/c16-14-11(9-4-3-5-9)8-13-18-19-15(21(13)20-14)10-6-1-2-7-12(10)17/h1-2,6-9H,3-5H2.
What are the key properties of 6-chloro-7-cyclobutyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-7-cyclobutyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 302.74 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-cyclobutyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 11066622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).