3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine

C7H8N4 — CID 590449

IUPAC3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1nnc2cnccn12
InChIInChI=1S/C7H8N4/c1-2-6-9-10-7-5-8-3-4-11(6)7/h3-5H,2H2,1H3
InChIKeyFWGLTJTVQUURRX-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.69
Rot. Bonds1

About 3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine

3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 590449) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID590449
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1nnc2cnccn12
InChIInChI=1S/C7H8N4/c1-2-6-9-10-7-5-8-3-4-11(6)7/h3-5H,2H2,1H3
InChIKeyFWGLTJTVQUURRX-UHFFFAOYSA-N
XLogP0.69
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 590449) is 3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine is CCc1nnc2cnccn12.
What is the InChIKey of 3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is FWGLTJTVQUURRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-2-6-9-10-7-5-8-3-4-11(6)7/h3-5H,2H2,1H3.
What are the key properties of 3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine?
3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 148.17 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 590449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).