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

C12H14ClN5 — CID 139295612

IUPAC3-(8-azabicyclo[3.2.1]octan-8-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1nccn2c(N3C4CCCC3CC4)nnc12
InChIInChI=1S/C12H14ClN5/c13-10-11-15-16-12(17(11)7-6-14-10)18-8-2-1-3-9(18)5-4-8/h6-9H,1-5H2
InChIKeyXQEQEMSZQFRZIX-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.30
Rot. Bonds1

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

3-(8-azabicyclo[3.2.1]octan-8-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 139295612) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 3-(8-azabicyclo[3.2.1]octan-8-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(8-azabicyclo[3.2.1]octan-8-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID139295612
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name3-(8-azabicyclo[3.2.1]octan-8-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1nccn2c(N3C4CCCC3CC4)nnc12
InChIInChI=1S/C12H14ClN5/c13-10-11-15-16-12(17(11)7-6-14-10)18-8-2-1-3-9(18)5-4-8/h6-9H,1-5H2
InChIKeyXQEQEMSZQFRZIX-UHFFFAOYSA-N
XLogP2.30
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(8-azabicyclo[3.2.1]octan-8-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(8-azabicyclo[3.2.1]octan-8-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine (CID 139295612) is 3-(8-azabicyclo[3.2.1]octan-8-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(8-azabicyclo[3.2.1]octan-8-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(8-azabicyclo[3.2.1]octan-8-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine is Clc1nccn2c(N3C4CCCC3CC4)nnc12.
What is the InChIKey of 3-(8-azabicyclo[3.2.1]octan-8-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XQEQEMSZQFRZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c13-10-11-15-16-12(17(11)7-6-14-10)18-8-2-1-3-9(18)5-4-8/h6-9H,1-5H2.
What are the key properties of 3-(8-azabicyclo[3.2.1]octan-8-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(8-azabicyclo[3.2.1]octan-8-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 263.73 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azabicyclo[3.2.1]octan-8-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 139295612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).