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

C7H7BrN4S — CID 11971497

IUPAC2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine;hydrobromide
SMILESBr.c1ccc(Sc2ncn[nH]2)nc1
InChIInChI=1S/C7H6N4S.BrH/c1-2-4-8-6(3-1)12-7-9-5-10-11-7;/h1-5H,(H,9,10,11);1H
InChIKeyHIJRNULYGRXVER-UHFFFAOYSA-N
MW259.13 g/mol
LogP1.93
Rot. Bonds2

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

2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine;hydrobromide (PubChem CID 11971497) has the molecular formula C7H7BrN4S and a molecular weight of 259.13 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine;hydrobromide.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine;hydrobromide
PubChem CID11971497
Molecular FormulaC7H7BrN4S
Molecular Weight259.13 g/mol
Exact Mass257.96
IUPAC Name2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine;hydrobromide
SMILESBr.c1ccc(Sc2ncn[nH]2)nc1
InChIInChI=1S/C7H6N4S.BrH/c1-2-4-8-6(3-1)12-7-9-5-10-11-7;/h1-5H,(H,9,10,11);1H
InChIKeyHIJRNULYGRXVER-UHFFFAOYSA-N
XLogP1.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 51.93
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;hydrobromide?
The IUPAC name of 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine;hydrobromide (CID 11971497) is 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine;hydrobromide.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine;hydrobromide?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine;hydrobromide is Br.c1ccc(Sc2ncn[nH]2)nc1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine;hydrobromide?
The InChIKey is HIJRNULYGRXVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S.BrH/c1-2-4-8-6(3-1)12-7-9-5-10-11-7;/h1-5H,(H,9,10,11);1H.
What are the key properties of 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine;hydrobromide?
2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine;hydrobromide has a molecular weight of 259.13 g/mol, XLogP of 1.93, 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;hydrobromide is sourced from PubChem (CID 11971497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).