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

C8H8N4S — CID 702852

IUPAC2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine
SMILESc1ccc(CSc2ncn[nH]2)nc1
InChIInChI=1S/C8H8N4S/c1-2-4-9-7(3-1)5-13-8-10-6-11-12-8/h1-4,6H,5H2,(H,10,11,12)
InChIKeyPEWZGGDSCHGSLF-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.49
Rot. Bonds3

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

2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine (PubChem CID 702852) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine
PubChem CID702852
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine
SMILESc1ccc(CSc2ncn[nH]2)nc1
InChIInChI=1S/C8H8N4S/c1-2-4-9-7(3-1)5-13-8-10-6-11-12-8/h1-4,6H,5H2,(H,10,11,12)
InChIKeyPEWZGGDSCHGSLF-UHFFFAOYSA-N
XLogP1.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.49
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-ylsulfanylmethyl)pyridine?
The IUPAC name of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine (CID 702852) is 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine is c1ccc(CSc2ncn[nH]2)nc1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine?
The InChIKey is PEWZGGDSCHGSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-2-4-9-7(3-1)5-13-8-10-6-11-12-8/h1-4,6H,5H2,(H,10,11,12).
What are the key properties of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine?
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine has a molecular weight of 192.25 g/mol, XLogP of 1.49, 3 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-ylsulfanylmethyl)pyridine is sourced from PubChem (CID 702852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).