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

C10H13F3N4 — CID 143347897

IUPAC8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;propane
SMILESCCC.Cc1ccnn2c(C(F)(F)F)nnc12
InChIInChI=1S/C7H5F3N4.C3H8/c1-4-2-3-11-14-5(4)12-13-6(14)7(8,9)10;1-3-2/h2-3H,1H3;3H2,1-2H3
InChIKeyQJVDAEXHWODLKN-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.87
Rot. Bonds

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

8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;propane (PubChem CID 143347897) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;propane.

Molecular Properties

Compound Name8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;propane
PubChem CID143347897
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;propane
SMILESCCC.Cc1ccnn2c(C(F)(F)F)nnc12
InChIInChI=1S/C7H5F3N4.C3H8/c1-4-2-3-11-14-5(4)12-13-6(14)7(8,9)10;1-3-2/h2-3H,1H3;3H2,1-2H3
InChIKeyQJVDAEXHWODLKN-UHFFFAOYSA-N
XLogP2.87
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Zindotrine
CID 41856
6-(1-Pyrrolidinyl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 1476857
6-Piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 683253
[1,2,4]Triazolo[4,3-b]pyridazin-3-amine
CID 55289232
[1,2,4]Triazolo[1,5-b]pyridazine
CID 12212523
3-Bromo-[1,2,4]triazolo[4,3-b]pyridazine
CID 15584110
1-{[1,2,4]Triazolo[4,3-b]pyridazin-3-yl}methanamine
CID 75355624
N-tert-butyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47135604
1,2,4-Triazolo(4,3-b)pyridazine
CID 577392
6-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 1476861
3-(Chloromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 130756638
8-Methylimidazo[1,2-b]pyridazine
CID 20076610

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;propane?
The IUPAC name of 8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;propane (CID 143347897) is 8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;propane.
What is the SMILES notation for 8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;propane?
The canonical SMILES for 8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;propane is CCC.Cc1ccnn2c(C(F)(F)F)nnc12.
What is the InChIKey of 8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;propane?
The InChIKey is QJVDAEXHWODLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4.C3H8/c1-4-2-3-11-14-5(4)12-13-6(14)7(8,9)10;1-3-2/h2-3H,1H3;3H2,1-2H3.
What are the key properties of 8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;propane?
8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;propane has a molecular weight of 246.24 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;propane is sourced from PubChem (CID 143347897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).