2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine

C11H8N6 — CID 10513304

IUPAC2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine
SMILESc1ccc(-c2nc(-c3cnccn3)n[nH]2)nc1
InChIInChI=1S/C11H8N6/c1-2-4-13-8(3-1)10-15-11(17-16-10)9-7-12-5-6-14-9/h1-7H,(H,15,16,17)
InChIKeyDEIZSPUMKHDKTA-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.32
Rot. Bonds2

About 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine

2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine (PubChem CID 10513304) has the molecular formula C11H8N6 and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine
PubChem CID10513304
Molecular FormulaC11H8N6
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine
SMILESc1ccc(-c2nc(-c3cnccn3)n[nH]2)nc1
InChIInChI=1S/C11H8N6/c1-2-4-13-8(3-1)10-15-11(17-16-10)9-7-12-5-6-14-9/h1-7H,(H,15,16,17)
InChIKeyDEIZSPUMKHDKTA-UHFFFAOYSA-N
XLogP1.32
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine?
The IUPAC name of 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine (CID 10513304) is 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine.
What is the SMILES notation for 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine?
The canonical SMILES for 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine is c1ccc(-c2nc(-c3cnccn3)n[nH]2)nc1.
What is the InChIKey of 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine?
The InChIKey is DEIZSPUMKHDKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6/c1-2-4-13-8(3-1)10-15-11(17-16-10)9-7-12-5-6-14-9/h1-7H,(H,15,16,17).
What are the key properties of 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine?
2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine has a molecular weight of 224.23 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine is sourced from PubChem (CID 10513304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).