[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide

C7H6N4S — CID 82565691

IUPAC[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
SMILESNC(=S)c1cccn2ncnc12
InChIInChI=1S/C7H6N4S/c8-6(12)5-2-1-3-11-7(5)9-4-10-11/h1-4H,(H2,8,12)
InChIKeyGWFVWTKPXAZFBP-UHFFFAOYSA-N
MW178.22 g/mol
LogP0.36
Rot. Bonds1

About [1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide

[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide (PubChem CID 82565691) has the molecular formula C7H6N4S and a molecular weight of 178.22 g/mol. Its IUPAC name is [1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide.

Molecular Properties

Compound Name[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
PubChem CID82565691
Molecular FormulaC7H6N4S
Molecular Weight178.22 g/mol
Exact Mass178.03
IUPAC Name[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
SMILESNC(=S)c1cccn2ncnc12
InChIInChI=1S/C7H6N4S/c8-6(12)5-2-1-3-11-7(5)9-4-10-11/h1-4H,(H2,8,12)
InChIKeyGWFVWTKPXAZFBP-UHFFFAOYSA-N
XLogP0.36
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 50.36
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

8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 173094110
2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565694
2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetic acid
CID 82599293
2-amino-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanol
CID 83827836
ethane;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 167592704
N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155213546
3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanoic acid
CID 83829662
8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 172784495
2,2,2-trifluoro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide
CID 1475792
2-(1,2,4-triazol-1-yl)pyridine-3-carbothioamide
CID 24696176
4-iodopyrrolo[2,1-f][1,2,4]triazine
CID 143866204
8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 154311532

Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide?
The IUPAC name of [1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide (CID 82565691) is [1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide.
What is the SMILES notation for [1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide?
The canonical SMILES for [1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide is NC(=S)c1cccn2ncnc12.
What is the InChIKey of [1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide?
The InChIKey is GWFVWTKPXAZFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S/c8-6(12)5-2-1-3-11-7(5)9-4-10-11/h1-4H,(H2,8,12).
What are the key properties of [1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide?
[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide has a molecular weight of 178.22 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide is sourced from PubChem (CID 82565691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).