8-chloro-3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine

C13H15ClF2N4 — CID 139295588

IUPAC8-chloro-3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1(C)CC(c2nnc3c(Cl)nccn23)CC(F)(F)C1
InChIInChI=1S/C13H15ClF2N4/c1-12(2)5-8(6-13(15,16)7-12)10-18-19-11-9(14)17-3-4-20(10)11/h3-4,8H,5-7H2,1-2H3
InChIKeySLHUMZOZEFQIHS-UHFFFAOYSA-N
MW300.74 g/mol
LogP3.71
Rot. Bonds1

About 8-chloro-3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine

8-chloro-3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 139295588) has the molecular formula C13H15ClF2N4 and a molecular weight of 300.74 g/mol. Its IUPAC name is 8-chloro-3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID139295588
Molecular FormulaC13H15ClF2N4
Molecular Weight300.74 g/mol
Exact Mass300.10
IUPAC Name8-chloro-3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1(C)CC(c2nnc3c(Cl)nccn23)CC(F)(F)C1
InChIInChI=1S/C13H15ClF2N4/c1-12(2)5-8(6-13(15,16)7-12)10-18-19-11-9(14)17-3-4-20(10)11/h3-4,8H,5-7H2,1-2H3
InChIKeySLHUMZOZEFQIHS-UHFFFAOYSA-N
XLogP3.71
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 139295588) is 8-chloro-3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine is CC1(C)CC(c2nnc3c(Cl)nccn23)CC(F)(F)C1.
What is the InChIKey of 8-chloro-3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is SLHUMZOZEFQIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N4/c1-12(2)5-8(6-13(15,16)7-12)10-18-19-11-9(14)17-3-4-20(10)11/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 8-chloro-3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 300.74 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 139295588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).