8-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C6H4F2N4 — CID 68760259

IUPAC8-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)c1ccnn2cnnc12
InChIInChI=1S/C6H4F2N4/c7-5(8)4-1-2-10-12-3-9-11-6(4)12/h1-3,5H
InChIKeyZCYIEFIBTMDETM-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.06
Rot. Bonds1

About 8-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

8-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 68760259) has the molecular formula C6H4F2N4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 8-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name8-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID68760259
Molecular FormulaC6H4F2N4
Molecular Weight170.12 g/mol
Exact Mass170.04
IUPAC Name8-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)c1ccnn2cnnc12
InChIInChI=1S/C6H4F2N4/c7-5(8)4-1-2-10-12-3-9-11-6(4)12/h1-3,5H
InChIKeyZCYIEFIBTMDETM-UHFFFAOYSA-N
XLogP1.06
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 8-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 68760259) is 8-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 8-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 8-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)c1ccnn2cnnc12.
What is the InChIKey of 8-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ZCYIEFIBTMDETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N4/c7-5(8)4-1-2-10-12-3-9-11-6(4)12/h1-3,5H.
What are the key properties of 8-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
8-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 170.12 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 68760259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).