7H-triazolo[1,5-b]pyridazine-6-thione

C5H4N4S — CID 70438076

IUPAC7H-triazolo[1,5-b]pyridazine-6-thione
SMILESS=c1ccc2cnnn2[nH]1
InChIInChI=1S/C5H4N4S/c10-5-2-1-4-3-6-8-9(4)7-5/h1-3H,(H,7,10)
InChIKeyZKSOEHBYTSACAD-UHFFFAOYSA-N
MW152.18 g/mol
LogP0.79
Rot. Bonds

About 7H-triazolo[1,5-b]pyridazine-6-thione

7H-triazolo[1,5-b]pyridazine-6-thione (PubChem CID 70438076) has the molecular formula C5H4N4S and a molecular weight of 152.18 g/mol. Its IUPAC name is 7H-triazolo[1,5-b]pyridazine-6-thione.

Molecular Properties

Compound Name7H-triazolo[1,5-b]pyridazine-6-thione
PubChem CID70438076
Molecular FormulaC5H4N4S
Molecular Weight152.18 g/mol
Exact Mass152.02
IUPAC Name7H-triazolo[1,5-b]pyridazine-6-thione
SMILESS=c1ccc2cnnn2[nH]1
InChIInChI=1S/C5H4N4S/c10-5-2-1-4-3-6-8-9(4)7-5/h1-3H,(H,7,10)
InChIKeyZKSOEHBYTSACAD-UHFFFAOYSA-N
XLogP0.79
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7H-triazolo[1,5-b]pyridazine-6-thione?
The IUPAC name of 7H-triazolo[1,5-b]pyridazine-6-thione (CID 70438076) is 7H-triazolo[1,5-b]pyridazine-6-thione.
What is the SMILES notation for 7H-triazolo[1,5-b]pyridazine-6-thione?
The canonical SMILES for 7H-triazolo[1,5-b]pyridazine-6-thione is S=c1ccc2cnnn2[nH]1.
What is the InChIKey of 7H-triazolo[1,5-b]pyridazine-6-thione?
The InChIKey is ZKSOEHBYTSACAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4S/c10-5-2-1-4-3-6-8-9(4)7-5/h1-3H,(H,7,10).
What are the key properties of 7H-triazolo[1,5-b]pyridazine-6-thione?
7H-triazolo[1,5-b]pyridazine-6-thione has a molecular weight of 152.18 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-triazolo[1,5-b]pyridazine-6-thione is sourced from PubChem (CID 70438076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).