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

C11H12ClFN4 — CID 138684306

IUPAC8-chloro-3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC1(c2nnc3c(Cl)nccn23)CCCCC1
InChIInChI=1S/C11H12ClFN4/c12-8-9-15-16-10(17(9)7-6-14-8)11(13)4-2-1-3-5-11/h6-7H,1-5H2
InChIKeyZZKYVMMCLDVEAA-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.91
Rot. Bonds1

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

8-chloro-3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 138684306) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is 8-chloro-3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID138684306
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name8-chloro-3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC1(c2nnc3c(Cl)nccn23)CCCCC1
InChIInChI=1S/C11H12ClFN4/c12-8-9-15-16-10(17(9)7-6-14-8)11(13)4-2-1-3-5-11/h6-7H,1-5H2
InChIKeyZZKYVMMCLDVEAA-UHFFFAOYSA-N
XLogP2.91
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-chloro-3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine 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 8-chloro-3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 138684306) is 8-chloro-3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine is FC1(c2nnc3c(Cl)nccn23)CCCCC1.
What is the InChIKey of 8-chloro-3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ZZKYVMMCLDVEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c12-8-9-15-16-10(17(9)7-6-14-8)11(13)4-2-1-3-5-11/h6-7H,1-5H2.
What are the key properties of 8-chloro-3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 254.70 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(1-fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 138684306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).