8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C7H5F3N4 — CID 3808800

IUPAC8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(C(F)(F)F)nn2cnnc12
InChIInChI=1S/C7H5F3N4/c1-4-2-5(7(8,9)10)13-14-3-11-12-6(4)14/h2-3H,1H3
InChIKeyOOZWHISJAXDZRG-UHFFFAOYSA-N
MW202.14 g/mol
LogP1.45
Rot. Bonds

About 8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 3808800) has the molecular formula C7H5F3N4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID3808800
Molecular FormulaC7H5F3N4
Molecular Weight202.14 g/mol
Exact Mass202.05
IUPAC Name8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(C(F)(F)F)nn2cnnc12
InChIInChI=1S/C7H5F3N4/c1-4-2-5(7(8,9)10)13-14-3-11-12-6(4)14/h2-3H,1H3
InChIKeyOOZWHISJAXDZRG-UHFFFAOYSA-N
XLogP1.45
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 3808800) is 8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc(C(F)(F)F)nn2cnnc12.
What is the InChIKey of 8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OOZWHISJAXDZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4/c1-4-2-5(7(8,9)10)13-14-3-11-12-6(4)14/h2-3H,1H3.
What are the key properties of 8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 202.14 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 3808800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).