3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C10H13FN6 — CID 139295490

IUPAC3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(N3CCCC(F)C3)nnc12
InChIInChI=1S/C10H13FN6/c11-7-2-1-4-16(6-7)10-15-14-9-8(12)13-3-5-17(9)10/h3,5,7H,1-2,4,6H2,(H2,12,13)
InChIKeyBQUQAMAKLPLTJR-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.64
Rot. Bonds1

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

3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 139295490) has the molecular formula C10H13FN6 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID139295490
Molecular FormulaC10H13FN6
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(N3CCCC(F)C3)nnc12
InChIInChI=1S/C10H13FN6/c11-7-2-1-4-16(6-7)10-15-14-9-8(12)13-3-5-17(9)10/h3,5,7H,1-2,4,6H2,(H2,12,13)
InChIKeyBQUQAMAKLPLTJR-UHFFFAOYSA-N
XLogP0.64
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 139295490) is 3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Nc1nccn2c(N3CCCC(F)C3)nnc12.
What is the InChIKey of 3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is BQUQAMAKLPLTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6/c11-7-2-1-4-16(6-7)10-15-14-9-8(12)13-3-5-17(9)10/h3,5,7H,1-2,4,6H2,(H2,12,13).
What are the key properties of 3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 236.25 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 139295490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).