7-ethoxy-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine

C11H16N6O — CID 171118053

IUPAC7-ethoxy-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine
SMILESCCOc1nc(N2CCCCC2)nc2ncnn12
InChIInChI=1S/C11H16N6O/c1-2-18-11-15-10(16-6-4-3-5-7-16)14-9-12-8-13-17(9)11/h8H,2-7H2,1H3
InChIKeyZSOAIANIVYMLNQ-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.91
Rot. Bonds3

About 7-ethoxy-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine

7-ethoxy-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine (PubChem CID 171118053) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 7-ethoxy-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name7-ethoxy-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine
PubChem CID171118053
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name7-ethoxy-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine
SMILESCCOc1nc(N2CCCCC2)nc2ncnn12
InChIInChI=1S/C11H16N6O/c1-2-18-11-15-10(16-6-4-3-5-7-16)14-9-12-8-13-17(9)11/h8H,2-7H2,1H3
InChIKeyZSOAIANIVYMLNQ-UHFFFAOYSA-N
XLogP0.91
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 7-ethoxy-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine (CID 171118053) is 7-ethoxy-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 7-ethoxy-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 7-ethoxy-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine is CCOc1nc(N2CCCCC2)nc2ncnn12.
What is the InChIKey of 7-ethoxy-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine?
The InChIKey is ZSOAIANIVYMLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-2-18-11-15-10(16-6-4-3-5-7-16)14-9-12-8-13-17(9)11/h8H,2-7H2,1H3.
What are the key properties of 7-ethoxy-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine?
7-ethoxy-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine has a molecular weight of 248.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 171118053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).