5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine

C13H14F4N6 — CID 178072686

IUPAC5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine
SMILESFC(F)Cn1nnc2nc(N3CCC(F)(F)CC34CC4)cnc21
InChIInChI=1S/C13H14F4N6/c14-8(15)6-23-11-10(20-21-23)19-9(5-18-11)22-4-3-13(16,17)7-12(22)1-2-12/h5,8H,1-4,6-7H2
InChIKeyNNDONUPTGLPZAI-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.25
Rot. Bonds3

About 5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine

5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine (PubChem CID 178072686) has the molecular formula C13H14F4N6 and a molecular weight of 330.29 g/mol. Its IUPAC name is 5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine
PubChem CID178072686
Molecular FormulaC13H14F4N6
Molecular Weight330.29 g/mol
Exact Mass330.12
IUPAC Name5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine
SMILESFC(F)Cn1nnc2nc(N3CCC(F)(F)CC34CC4)cnc21
InChIInChI=1S/C13H14F4N6/c14-8(15)6-23-11-10(20-21-23)19-9(5-18-11)22-4-3-13(16,17)7-12(22)1-2-12/h5,8H,1-4,6-7H2
InChIKeyNNDONUPTGLPZAI-UHFFFAOYSA-N
XLogP2.25
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine?
The IUPAC name of 5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine (CID 178072686) is 5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine.
What is the SMILES notation for 5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine?
The canonical SMILES for 5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine is FC(F)Cn1nnc2nc(N3CCC(F)(F)CC34CC4)cnc21.
What is the InChIKey of 5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine?
The InChIKey is NNDONUPTGLPZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N6/c14-8(15)6-23-11-10(20-21-23)19-9(5-18-11)22-4-3-13(16,17)7-12(22)1-2-12/h5,8H,1-4,6-7H2.
What are the key properties of 5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine?
5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine has a molecular weight of 330.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine is sourced from PubChem (CID 178072686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).