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

C6H5N5S — CID 15141771

IUPAC2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazine
SMILESc1cnc(Sc2ncn[nH]2)cn1
InChIInChI=1S/C6H5N5S/c1-2-8-5(3-7-1)12-6-9-4-10-11-6/h1-4H,(H,9,10,11)
InChIKeyRMDVXMXVNMZRLZ-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.75
Rot. Bonds2

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

2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazine (PubChem CID 15141771) has the molecular formula C6H5N5S and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazine.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazine
PubChem CID15141771
Molecular FormulaC6H5N5S
Molecular Weight179.21 g/mol
Exact Mass179.03
IUPAC Name2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazine
SMILESc1cnc(Sc2ncn[nH]2)cn1
InChIInChI=1S/C6H5N5S/c1-2-8-5(3-7-1)12-6-9-4-10-11-6/h1-4H,(H,9,10,11)
InChIKeyRMDVXMXVNMZRLZ-UHFFFAOYSA-N
XLogP0.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazine?
The IUPAC name of 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazine (CID 15141771) is 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazine.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazine?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazine is c1cnc(Sc2ncn[nH]2)cn1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazine?
The InChIKey is RMDVXMXVNMZRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5S/c1-2-8-5(3-7-1)12-6-9-4-10-11-6/h1-4H,(H,9,10,11).
What are the key properties of 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazine?
2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazine has a molecular weight of 179.21 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazine is sourced from PubChem (CID 15141771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).