6-chloro-3-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

C12H8ClFN4 — CID 55144796

IUPAC6-chloro-3-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc(F)cc1-c1nnc2ccc(Cl)nn12
InChIInChI=1S/C12H8ClFN4/c1-7-2-3-8(14)6-9(7)12-16-15-11-5-4-10(13)17-18(11)12/h2-6H,1H3
InChIKeyFGMBKGWXNGJRKZ-UHFFFAOYSA-N
MW262.68 g/mol
LogP2.89
Rot. Bonds1

About 6-chloro-3-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 55144796) has the molecular formula C12H8ClFN4 and a molecular weight of 262.68 g/mol. Its IUPAC name is 6-chloro-3-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID55144796
Molecular FormulaC12H8ClFN4
Molecular Weight262.68 g/mol
Exact Mass262.04
IUPAC Name6-chloro-3-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc(F)cc1-c1nnc2ccc(Cl)nn12
InChIInChI=1S/C12H8ClFN4/c1-7-2-3-8(14)6-9(7)12-16-15-11-5-4-10(13)17-18(11)12/h2-6H,1H3
InChIKeyFGMBKGWXNGJRKZ-UHFFFAOYSA-N
XLogP2.89
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 55144796) is 6-chloro-3-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1ccc(F)cc1-c1nnc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is FGMBKGWXNGJRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4/c1-7-2-3-8(14)6-9(7)12-16-15-11-5-4-10(13)17-18(11)12/h2-6H,1H3.
What are the key properties of 6-chloro-3-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 262.68 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 55144796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).