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

C12H15F2N5 — CID 138684274

IUPAC3-[(1R,2S)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC[C@H]1CCC(F)(F)C[C@H]1c1nnc2c(N)nccn12
InChIInChI=1S/C12H15F2N5/c1-7-2-3-12(13,14)6-8(7)10-17-18-11-9(15)16-4-5-19(10)11/h4-5,7-8H,2-3,6H2,1H3,(H2,15,16)/t7-,8+/m0/s1
InChIKeyFGXZRBYORSBEPQ-JGVFFNPUSA-N
MW267.28 g/mol
LogP2.25
Rot. Bonds1

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

3-[(1R,2S)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 138684274) has the molecular formula C12H15F2N5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[(1R,2S)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[(1R,2S)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID138684274
Molecular FormulaC12H15F2N5
Molecular Weight267.28 g/mol
Exact Mass267.13
IUPAC Name3-[(1R,2S)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC[C@H]1CCC(F)(F)C[C@H]1c1nnc2c(N)nccn12
InChIInChI=1S/C12H15F2N5/c1-7-2-3-12(13,14)6-8(7)10-17-18-11-9(15)16-4-5-19(10)11/h4-5,7-8H,2-3,6H2,1H3,(H2,15,16)/t7-,8+/m0/s1
InChIKeyFGXZRBYORSBEPQ-JGVFFNPUSA-N
XLogP2.25
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-[(1R,2S)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 138684274) is 3-[(1R,2S)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-[(1R,2S)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-[(1R,2S)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is C[C@H]1CCC(F)(F)C[C@H]1c1nnc2c(N)nccn12.
What is the InChIKey of 3-[(1R,2S)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is FGXZRBYORSBEPQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C12H15F2N5/c1-7-2-3-12(13,14)6-8(7)10-17-18-11-9(15)16-4-5-19(10)11/h4-5,7-8H,2-3,6H2,1H3,(H2,15,16)/t7-,8+/m0/s1.
What are the key properties of 3-[(1R,2S)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-[(1R,2S)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 267.28 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 138684274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).