2-(2-ethyl-1,2,4-triazol-3-yl)pyrazine

C8H9N5 — CID 91493255

IUPAC2-(2-ethyl-1,2,4-triazol-3-yl)pyrazine
SMILESCCn1ncnc1-c1cnccn1
InChIInChI=1S/C8H9N5/c1-2-13-8(11-6-12-13)7-5-9-3-4-10-7/h3-6H,2H2,1H3
InChIKeyCSXIIBZHWXITGZ-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.75
Rot. Bonds2

About 2-(2-ethyl-1,2,4-triazol-3-yl)pyrazine

2-(2-ethyl-1,2,4-triazol-3-yl)pyrazine (PubChem CID 91493255) has the molecular formula C8H9N5 and a molecular weight of 175.20 g/mol. Its IUPAC name is 2-(2-ethyl-1,2,4-triazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-(2-ethyl-1,2,4-triazol-3-yl)pyrazine
PubChem CID91493255
Molecular FormulaC8H9N5
Molecular Weight175.20 g/mol
Exact Mass175.09
IUPAC Name2-(2-ethyl-1,2,4-triazol-3-yl)pyrazine
SMILESCCn1ncnc1-c1cnccn1
InChIInChI=1S/C8H9N5/c1-2-13-8(11-6-12-13)7-5-9-3-4-10-7/h3-6H,2H2,1H3
InChIKeyCSXIIBZHWXITGZ-UHFFFAOYSA-N
XLogP0.75
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)pyrazine?
The IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)pyrazine (CID 91493255) is 2-(2-ethyl-1,2,4-triazol-3-yl)pyrazine.
What is the SMILES notation for 2-(2-ethyl-1,2,4-triazol-3-yl)pyrazine?
The canonical SMILES for 2-(2-ethyl-1,2,4-triazol-3-yl)pyrazine is CCn1ncnc1-c1cnccn1.
What is the InChIKey of 2-(2-ethyl-1,2,4-triazol-3-yl)pyrazine?
The InChIKey is CSXIIBZHWXITGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-2-13-8(11-6-12-13)7-5-9-3-4-10-7/h3-6H,2H2,1H3.
What are the key properties of 2-(2-ethyl-1,2,4-triazol-3-yl)pyrazine?
2-(2-ethyl-1,2,4-triazol-3-yl)pyrazine has a molecular weight of 175.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,2,4-triazol-3-yl)pyrazine is sourced from PubChem (CID 91493255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).