3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide

C8H7F3N6O — CID 4702671

IUPAC3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide
SMILESO=C(CC(F)(F)F)NNc1ccc2nncn2n1
InChIInChI=1S/C8H7F3N6O/c9-8(10,11)3-7(18)15-13-5-1-2-6-14-12-4-17(6)16-5/h1-2,4H,3H2,(H,13,16)(H,15,18)
InChIKeyADIFGRDYEJVSKR-UHFFFAOYSA-N
MW260.18 g/mol
LogP0.52
Rot. Bonds3

About 3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide

3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide (PubChem CID 4702671) has the molecular formula C8H7F3N6O and a molecular weight of 260.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide
PubChem CID4702671
Molecular FormulaC8H7F3N6O
Molecular Weight260.18 g/mol
Exact Mass260.06
IUPAC Name3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide
SMILESO=C(CC(F)(F)F)NNc1ccc2nncn2n1
InChIInChI=1S/C8H7F3N6O/c9-8(10,11)3-7(18)15-13-5-1-2-6-14-12-4-17(6)16-5/h1-2,4H,3H2,(H,13,16)(H,15,18)
InChIKeyADIFGRDYEJVSKR-UHFFFAOYSA-N
XLogP0.52
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 50.52
H-Bond Donors ≤ 52
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 3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide?
The IUPAC name of 3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide (CID 4702671) is 3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide.
What is the SMILES notation for 3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide?
The canonical SMILES for 3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide is O=C(CC(F)(F)F)NNc1ccc2nncn2n1.
What is the InChIKey of 3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide?
The InChIKey is ADIFGRDYEJVSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N6O/c9-8(10,11)3-7(18)15-13-5-1-2-6-14-12-4-17(6)16-5/h1-2,4H,3H2,(H,13,16)(H,15,18).
What are the key properties of 3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide?
3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide has a molecular weight of 260.18 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide is sourced from PubChem (CID 4702671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).