5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione

C5H4N4S — CID 931370

IUPAC5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione
SMILESS=c1ccc2nncn2[nH]1
InChIInChI=1S/C5H4N4S/c10-5-2-1-4-7-6-3-9(4)8-5/h1-3H,(H,8,10)
InChIKeyTUVINVFBKZSHGH-UHFFFAOYSA-N
MW152.18 g/mol
LogP0.79
Rot. Bonds

About 5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione

5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione (PubChem CID 931370) has the molecular formula C5H4N4S and a molecular weight of 152.18 g/mol. Its IUPAC name is 5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione.

Molecular Properties

Compound Name5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione
PubChem CID931370
Molecular FormulaC5H4N4S
Molecular Weight152.18 g/mol
Exact Mass152.02
IUPAC Name5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione
SMILESS=c1ccc2nncn2[nH]1
InChIInChI=1S/C5H4N4S/c10-5-2-1-4-7-6-3-9(4)8-5/h1-3H,(H,8,10)
InChIKeyTUVINVFBKZSHGH-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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Related Compounds

5-Ethenyl-1H-1,2,4-triazole
CID 19004185
[1,2,4]Triazolo[1,5-b]pyridazine-6-thiol
CID 17996065
5-prop-1-enyl-1H-1,2,4-triazole
CID 67571821
3-(4H-1,2,4-Triazol-3-YL)acrylonitrile
CID 67677726
5-[(E)-prop-1-enyl]-1H-1,2,4-triazole
CID 87792768
5-[(Z)-prop-1-enyl]-1H-1,2,4-triazole
CID 132246828
5,6-Dihydro-[1,2,4]triazolo[4,3-b]pyridazine
CID 145064551
8-Methyl-4-hydro-1,2,4-triazolo[4,3-e]pyridazine-6-thiol
CID 5098240
1-methyl-5H-[1,2,4]triazolo[1,5-b]pyridazin-1-ium-6-thione
CID 14075751
6-(1H-1,2,4-triazol-1-yl)pyridazine-3-thiol
CID 45588730
(E)-3-(4H-1,2,4-Triazol-3-yl)acrylonitrile
CID 55287749
3-Ethenyl-1,2,4-triazol-4-amine
CID 145064557

Frequently Asked Questions

What is the IUPAC name of 5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione?
The IUPAC name of 5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione (CID 931370) is 5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione.
What is the SMILES notation for 5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione?
The canonical SMILES for 5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione is S=c1ccc2nncn2[nH]1.
What is the InChIKey of 5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione?
The InChIKey is TUVINVFBKZSHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4S/c10-5-2-1-4-7-6-3-9(4)8-5/h1-3H,(H,8,10).
What are the key properties of 5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione?
5H-[1,2,4]triazolo[4,3-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 5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione is sourced from PubChem (CID 931370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).