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

C10H11ClFN5 — CID 139295871

IUPAC8-chloro-3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC1CCCN(c2nnc3c(Cl)nccn23)C1
InChIInChI=1S/C10H11ClFN5/c11-8-9-14-15-10(17(9)5-3-13-8)16-4-1-2-7(12)6-16/h3,5,7H,1-2,4,6H2
InChIKeyOCGOSWMFHBUPIS-UHFFFAOYSA-N
MW255.68 g/mol
LogP1.72
Rot. Bonds1

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

8-chloro-3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 139295871) has the molecular formula C10H11ClFN5 and a molecular weight of 255.68 g/mol. Its IUPAC name is 8-chloro-3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID139295871
Molecular FormulaC10H11ClFN5
Molecular Weight255.68 g/mol
Exact Mass255.07
IUPAC Name8-chloro-3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC1CCCN(c2nnc3c(Cl)nccn23)C1
InChIInChI=1S/C10H11ClFN5/c11-8-9-14-15-10(17(9)5-3-13-8)16-4-1-2-7(12)6-16/h3,5,7H,1-2,4,6H2
InChIKeyOCGOSWMFHBUPIS-UHFFFAOYSA-N
XLogP1.72
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 139295871) is 8-chloro-3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is FC1CCCN(c2nnc3c(Cl)nccn23)C1.
What is the InChIKey of 8-chloro-3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is OCGOSWMFHBUPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN5/c11-8-9-14-15-10(17(9)5-3-13-8)16-4-1-2-7(12)6-16/h3,5,7H,1-2,4,6H2.
What are the key properties of 8-chloro-3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 255.68 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 139295871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).