1,1-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine

C8H9F3N6 — CID 106950566

IUPAC1,1-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine
SMILESCN(C)Nc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C8H9F3N6/c1-16(2)14-5-3-4-6-12-13-7(8(9,10)11)17(6)15-5/h3-4H,1-2H3,(H,14,15)
InChIKeyZPHFTQNPRPWRLP-UHFFFAOYSA-N
MW246.20 g/mol
LogP1.03
Rot. Bonds2

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

1,1-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine (PubChem CID 106950566) has the molecular formula C8H9F3N6 and a molecular weight of 246.20 g/mol. Its IUPAC name is 1,1-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine.

Molecular Properties

Compound Name1,1-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine
PubChem CID106950566
Molecular FormulaC8H9F3N6
Molecular Weight246.20 g/mol
Exact Mass246.08
IUPAC Name1,1-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine
SMILESCN(C)Nc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C8H9F3N6/c1-16(2)14-5-3-4-6-12-13-7(8(9,10)11)17(6)15-5/h3-4H,1-2H3,(H,14,15)
InChIKeyZPHFTQNPRPWRLP-UHFFFAOYSA-N
XLogP1.03
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine?
The IUPAC name of 1,1-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine (CID 106950566) is 1,1-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine.
What is the SMILES notation for 1,1-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine?
The canonical SMILES for 1,1-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine is CN(C)Nc1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of 1,1-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine?
The InChIKey is ZPHFTQNPRPWRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N6/c1-16(2)14-5-3-4-6-12-13-7(8(9,10)11)17(6)15-5/h3-4H,1-2H3,(H,14,15).
What are the key properties of 1,1-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine?
1,1-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine has a molecular weight of 246.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine is sourced from PubChem (CID 106950566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).