8-(8-azabicyclo[3.2.1]octan-3-yloxy)-[1,2,4]triazolo[4,3-a]pyrazine

C12H15N5O — CID 114199742

IUPAC8-(8-azabicyclo[3.2.1]octan-3-yloxy)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1cn2cnnc2c(OC2CC3CCC(C2)N3)n1
InChIInChI=1S/C12H15N5O/c1-2-9-6-10(5-8(1)15-9)18-12-11-16-14-7-17(11)4-3-13-12/h3-4,7-10,15H,1-2,5-6H2
InChIKeyUIXATHXRSYBEPB-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.79
Rot. Bonds2

About 8-(8-azabicyclo[3.2.1]octan-3-yloxy)-[1,2,4]triazolo[4,3-a]pyrazine

8-(8-azabicyclo[3.2.1]octan-3-yloxy)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 114199742) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 8-(8-azabicyclo[3.2.1]octan-3-yloxy)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-(8-azabicyclo[3.2.1]octan-3-yloxy)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID114199742
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name8-(8-azabicyclo[3.2.1]octan-3-yloxy)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1cn2cnnc2c(OC2CC3CCC(C2)N3)n1
InChIInChI=1S/C12H15N5O/c1-2-9-6-10(5-8(1)15-9)18-12-11-16-14-7-17(11)4-3-13-12/h3-4,7-10,15H,1-2,5-6H2
InChIKeyUIXATHXRSYBEPB-UHFFFAOYSA-N
XLogP0.79
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(8-azabicyclo[3.2.1]octan-3-yloxy)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-(8-azabicyclo[3.2.1]octan-3-yloxy)-[1,2,4]triazolo[4,3-a]pyrazine (CID 114199742) is 8-(8-azabicyclo[3.2.1]octan-3-yloxy)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-(8-azabicyclo[3.2.1]octan-3-yloxy)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-(8-azabicyclo[3.2.1]octan-3-yloxy)-[1,2,4]triazolo[4,3-a]pyrazine is c1cn2cnnc2c(OC2CC3CCC(C2)N3)n1.
What is the InChIKey of 8-(8-azabicyclo[3.2.1]octan-3-yloxy)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is UIXATHXRSYBEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-9-6-10(5-8(1)15-9)18-12-11-16-14-7-17(11)4-3-13-12/h3-4,7-10,15H,1-2,5-6H2.
What are the key properties of 8-(8-azabicyclo[3.2.1]octan-3-yloxy)-[1,2,4]triazolo[4,3-a]pyrazine?
8-(8-azabicyclo[3.2.1]octan-3-yloxy)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 245.29 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-azabicyclo[3.2.1]octan-3-yloxy)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 114199742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).