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

C13H17F2N5 — CID 138684263

IUPAC3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC1(C)CC(c2nnc3c(N)nccn23)CC(F)(F)C1
InChIInChI=1S/C13H17F2N5/c1-12(2)5-8(6-13(14,15)7-12)10-18-19-11-9(16)17-3-4-20(10)11/h3-4,8H,5-7H2,1-2H3,(H2,16,17)
InChIKeyLUQOAVRQVAOWHX-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.64
Rot. Bonds1

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

3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 138684263) has the molecular formula C13H17F2N5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID138684263
Molecular FormulaC13H17F2N5
Molecular Weight281.31 g/mol
Exact Mass281.15
IUPAC Name3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC1(C)CC(c2nnc3c(N)nccn23)CC(F)(F)C1
InChIInChI=1S/C13H17F2N5/c1-12(2)5-8(6-13(14,15)7-12)10-18-19-11-9(16)17-3-4-20(10)11/h3-4,8H,5-7H2,1-2H3,(H2,16,17)
InChIKeyLUQOAVRQVAOWHX-UHFFFAOYSA-N
XLogP2.64
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

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Related Compounds

2-([1,2,4]Triazolo[4,3-a]pyrazin-8-yl)-2-azaspiro[4.5]decane
CID 75423058
3-propan-2-yl-N-[(2S)-4,4,4-trifluoro-2-methylbutyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 164637185
8-Chloro-3-(4,4-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 81932470
8-Chloro-3-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 81932497
3-(2,2-Difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 123909889
N-[(3,3-difluoropiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 124107520
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
CID 124107526
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 124107535
3-[3-(Trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 134299732
3-(3,3-Difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 134299834
3-(1-Fluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 138684258
3-[(1S,2R)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 138684272

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 138684263) is 3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CC1(C)CC(c2nnc3c(N)nccn23)CC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is LUQOAVRQVAOWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5/c1-12(2)5-8(6-13(14,15)7-12)10-18-19-11-9(16)17-3-4-20(10)11/h3-4,8H,5-7H2,1-2H3,(H2,16,17).
What are the key properties of 3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 281.31 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoro-5,5-dimethylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 138684263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).