5,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione

C8H9N3S — CID 20699443

IUPAC5,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione
SMILESCc1cc(C)n2[nH]c(=S)nc2c1
InChIInChI=1S/C8H9N3S/c1-5-3-6(2)11-7(4-5)9-8(12)10-11/h3-4H,1-2H3,(H,10,12)
InChIKeyHEKPGVRHVPFHIE-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.01
Rot. Bonds

About 5,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione

5,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione (PubChem CID 20699443) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 5,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione.

Molecular Properties

Compound Name5,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione
PubChem CID20699443
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name5,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione
SMILESCc1cc(C)n2[nH]c(=S)nc2c1
InChIInChI=1S/C8H9N3S/c1-5-3-6(2)11-7(4-5)9-8(12)10-11/h3-4H,1-2H3,(H,10,12)
InChIKeyHEKPGVRHVPFHIE-UHFFFAOYSA-N
XLogP2.01
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione?
The IUPAC name of 5,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione (CID 20699443) is 5,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione.
What is the SMILES notation for 5,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione?
The canonical SMILES for 5,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione is Cc1cc(C)n2[nH]c(=S)nc2c1.
What is the InChIKey of 5,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione?
The InChIKey is HEKPGVRHVPFHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-5-3-6(2)11-7(4-5)9-8(12)10-11/h3-4H,1-2H3,(H,10,12).
What are the key properties of 5,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione?
5,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione has a molecular weight of 179.25 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione is sourced from PubChem (CID 20699443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).