2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine

C7H6N4S — CID 11971498

IUPAC2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine
SMILESc1ccc(Sc2ncn[nH]2)nc1
InChIInChI=1S/C7H6N4S/c1-2-4-8-6(3-1)12-7-9-5-10-11-7/h1-5H,(H,9,10,11)
InChIKeyRBQUXCVQQFXMAA-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.35
Rot. Bonds2

About 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine

2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine (PubChem CID 11971498) has the molecular formula C7H6N4S and a molecular weight of 178.22 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine
PubChem CID11971498
Molecular FormulaC7H6N4S
Molecular Weight178.22 g/mol
Exact Mass178.03
IUPAC Name2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine
SMILESc1ccc(Sc2ncn[nH]2)nc1
InChIInChI=1S/C7H6N4S/c1-2-4-8-6(3-1)12-7-9-5-10-11-7/h1-5H,(H,9,10,11)
InChIKeyRBQUXCVQQFXMAA-UHFFFAOYSA-N
XLogP1.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine?
The IUPAC name of 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine (CID 11971498) is 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine is c1ccc(Sc2ncn[nH]2)nc1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine?
The InChIKey is RBQUXCVQQFXMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S/c1-2-4-8-6(3-1)12-7-9-5-10-11-7/h1-5H,(H,9,10,11).
What are the key properties of 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine?
2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine has a molecular weight of 178.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine is sourced from PubChem (CID 11971498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).