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

C8H9N5 — CID 46397995

IUPAC2-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazine
SMILESCCc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C8H9N5/c1-2-7-11-8(13-12-7)6-5-9-3-4-10-6/h3-5H,2H2,1H3,(H,11,12,13)
InChIKeyOXPUKDDDVJGATE-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.82
Rot. Bonds2

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

2-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazine (PubChem CID 46397995) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazine
PubChem CID46397995
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazine
SMILESCCc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C8H9N5/c1-2-7-11-8(13-12-7)6-5-9-3-4-10-6/h3-5H,2H2,1H3,(H,11,12,13)
InChIKeyOXPUKDDDVJGATE-UHFFFAOYSA-N
XLogP0.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazine?
The IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazine (CID 46397995) is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazine.
What is the SMILES notation for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazine?
The canonical SMILES for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazine is CCc1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazine?
The InChIKey is OXPUKDDDVJGATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-2-7-11-8(13-12-7)6-5-9-3-4-10-6/h3-5H,2H2,1H3,(H,11,12,13).
What are the key properties of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazine?
2-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazine has a molecular weight of 175.19 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazine is sourced from PubChem (CID 46397995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).