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

C12H13ClF2N4 — CID 139295585

IUPAC8-chloro-3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CC(c2nnc3c(Cl)nccn23)CC(F)(F)C1
InChIInChI=1S/C12H13ClF2N4/c1-7-4-8(6-12(14,15)5-7)10-17-18-11-9(13)16-2-3-19(10)11/h2-3,7-8H,4-6H2,1H3
InChIKeyCMCGGLQNCNATSC-UHFFFAOYSA-N
MW286.71 g/mol
LogP3.32
Rot. Bonds1

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

8-chloro-3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 139295585) has the molecular formula C12H13ClF2N4 and a molecular weight of 286.71 g/mol. Its IUPAC name is 8-chloro-3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID139295585
Molecular FormulaC12H13ClF2N4
Molecular Weight286.71 g/mol
Exact Mass286.08
IUPAC Name8-chloro-3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CC(c2nnc3c(Cl)nccn23)CC(F)(F)C1
InChIInChI=1S/C12H13ClF2N4/c1-7-4-8(6-12(14,15)5-7)10-17-18-11-9(13)16-2-3-19(10)11/h2-3,7-8H,4-6H2,1H3
InChIKeyCMCGGLQNCNATSC-UHFFFAOYSA-N
XLogP3.32
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 53.32
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-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 139295585) is 8-chloro-3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine is CC1CC(c2nnc3c(Cl)nccn23)CC(F)(F)C1.
What is the InChIKey of 8-chloro-3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CMCGGLQNCNATSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N4/c1-7-4-8(6-12(14,15)5-7)10-17-18-11-9(13)16-2-3-19(10)11/h2-3,7-8H,4-6H2,1H3.
What are the key properties of 8-chloro-3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 286.71 g/mol, XLogP of 3.32, 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-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 139295585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).