2-ethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C6H8N6 — CID 12666258

IUPAC2-ethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCCc1nc2ncnc(N)n2n1
InChIInChI=1S/C6H8N6/c1-2-4-10-6-9-3-8-5(7)12(6)11-4/h3H,2H2,1H3,(H2,7,8,9,10,11)
InChIKeyZFOLTTPVKKDIBZ-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.34
Rot. Bonds1

About 2-ethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

2-ethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 12666258) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-ethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-ethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID12666258
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name2-ethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCCc1nc2ncnc(N)n2n1
InChIInChI=1S/C6H8N6/c1-2-4-10-6-9-3-8-5(7)12(6)11-4/h3H,2H2,1H3,(H2,7,8,9,10,11)
InChIKeyZFOLTTPVKKDIBZ-UHFFFAOYSA-N
XLogP-0.34
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-ethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 12666258) is 2-ethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-ethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-ethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is CCc1nc2ncnc(N)n2n1.
What is the InChIKey of 2-ethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is ZFOLTTPVKKDIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-2-4-10-6-9-3-8-5(7)12(6)11-4/h3H,2H2,1H3,(H2,7,8,9,10,11).
What are the key properties of 2-ethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-ethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 164.17 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 12666258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).