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

C11H14FN5 — CID 138684258

IUPAC3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(C3(F)CCCCC3)nnc12
InChIInChI=1S/C11H14FN5/c12-11(4-2-1-3-5-11)10-16-15-9-8(13)14-6-7-17(9)10/h6-7H,1-5H2,(H2,13,14)
InChIKeyOWVXWMZVZKBZNR-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.84
Rot. Bonds1

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

3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 138684258) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID138684258
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(C3(F)CCCCC3)nnc12
InChIInChI=1S/C11H14FN5/c12-11(4-2-1-3-5-11)10-16-15-9-8(13)14-6-7-17(9)10/h6-7H,1-5H2,(H2,13,14)
InChIKeyOWVXWMZVZKBZNR-UHFFFAOYSA-N
XLogP1.84
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 138684258) is 3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Nc1nccn2c(C3(F)CCCCC3)nnc12.
What is the InChIKey of 3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is OWVXWMZVZKBZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c12-11(4-2-1-3-5-11)10-16-15-9-8(13)14-6-7-17(9)10/h6-7H,1-5H2,(H2,13,14).
What are the key properties of 3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 235.27 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 138684258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).