3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C6H4F3N5 — CID 4915708

IUPAC3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESNc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C6H4F3N5/c7-6(8,9)5-12-11-4-2-1-3(10)13-14(4)5/h1-2H,(H2,10,13)
InChIKeyOCWFSMZRPYSHFY-UHFFFAOYSA-N
MW203.13 g/mol
LogP0.73
Rot. Bonds

About 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 4915708) has the molecular formula C6H4F3N5 and a molecular weight of 203.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID4915708
Molecular FormulaC6H4F3N5
Molecular Weight203.13 g/mol
Exact Mass203.04
IUPAC Name3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESNc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C6H4F3N5/c7-6(8,9)5-12-11-4-2-1-3(10)13-14(4)5/h1-2H,(H2,10,13)
InChIKeyOCWFSMZRPYSHFY-UHFFFAOYSA-N
XLogP0.73
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 4915708) is 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Nc1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is OCWFSMZRPYSHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N5/c7-6(8,9)5-12-11-4-2-1-3(10)13-14(4)5/h1-2H,(H2,10,13).
What are the key properties of 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 203.13 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 4915708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).