5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C13H14N8O — CID 68684893

IUPAC5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CC3CC2CN3)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C13H14N8O/c14-11-17-12(20-6-7-4-8(20)5-15-7)18-13-16-10(19-21(11)13)9-2-1-3-22-9/h1-3,7-8,15H,4-6H2,(H2,14,16,17,18,19)
InChIKeyIXEXYITUFSGECS-UHFFFAOYSA-N
MW298.31 g/mol
LogP-0.09
Rot. Bonds2

About 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 68684893) has the molecular formula C13H14N8O and a molecular weight of 298.31 g/mol. Its IUPAC name is 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID68684893
Molecular FormulaC13H14N8O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CC3CC2CN3)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C13H14N8O/c14-11-17-12(20-6-7-4-8(20)5-15-7)18-13-16-10(19-21(11)13)9-2-1-3-22-9/h1-3,7-8,15H,4-6H2,(H2,14,16,17,18,19)
InChIKeyIXEXYITUFSGECS-UHFFFAOYSA-N
XLogP-0.09
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 68684893) is 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Nc1nc(N2CC3CC2CN3)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is IXEXYITUFSGECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8O/c14-11-17-12(20-6-7-4-8(20)5-15-7)18-13-16-10(19-21(11)13)9-2-1-3-22-9/h1-3,7-8,15H,4-6H2,(H2,14,16,17,18,19).
What are the key properties of 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 298.31 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 68684893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).