3-(7-azabicyclo[2.2.1]heptan-7-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine

C11H12ClN5 — CID 139295661

IUPAC3-(7-azabicyclo[2.2.1]heptan-7-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1nccn2c(N3C4CCC3CC4)nnc12
InChIInChI=1S/C11H12ClN5/c12-9-10-14-15-11(16(10)6-5-13-9)17-7-1-2-8(17)4-3-7/h5-8H,1-4H2
InChIKeyDXRUZFUQRNWSIF-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.91
Rot. Bonds1

About 3-(7-azabicyclo[2.2.1]heptan-7-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine

3-(7-azabicyclo[2.2.1]heptan-7-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 139295661) has the molecular formula C11H12ClN5 and a molecular weight of 249.70 g/mol. Its IUPAC name is 3-(7-azabicyclo[2.2.1]heptan-7-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(7-azabicyclo[2.2.1]heptan-7-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID139295661
Molecular FormulaC11H12ClN5
Molecular Weight249.70 g/mol
Exact Mass249.08
IUPAC Name3-(7-azabicyclo[2.2.1]heptan-7-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1nccn2c(N3C4CCC3CC4)nnc12
InChIInChI=1S/C11H12ClN5/c12-9-10-14-15-11(16(10)6-5-13-9)17-7-1-2-8(17)4-3-7/h5-8H,1-4H2
InChIKeyDXRUZFUQRNWSIF-UHFFFAOYSA-N
XLogP1.91
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7-azabicyclo[2.2.1]heptan-7-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(7-azabicyclo[2.2.1]heptan-7-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine (CID 139295661) is 3-(7-azabicyclo[2.2.1]heptan-7-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(7-azabicyclo[2.2.1]heptan-7-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(7-azabicyclo[2.2.1]heptan-7-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine is Clc1nccn2c(N3C4CCC3CC4)nnc12.
What is the InChIKey of 3-(7-azabicyclo[2.2.1]heptan-7-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is DXRUZFUQRNWSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5/c12-9-10-14-15-11(16(10)6-5-13-9)17-7-1-2-8(17)4-3-7/h5-8H,1-4H2.
What are the key properties of 3-(7-azabicyclo[2.2.1]heptan-7-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(7-azabicyclo[2.2.1]heptan-7-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 249.70 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-azabicyclo[2.2.1]heptan-7-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 139295661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).