8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile

C10H8F3N5 — CID 121348331

IUPAC8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile
SMILESN#Cc1cn2ncnc2c(CCCC(F)(F)F)n1
InChIInChI=1S/C10H8F3N5/c11-10(12,13)3-1-2-8-9-15-6-16-18(9)5-7(4-14)17-8/h5-6H,1-3H2
InChIKeyWLUFWEWPJIWWQT-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.88
Rot. Bonds3

About 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile

8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile (PubChem CID 121348331) has the molecular formula C10H8F3N5 and a molecular weight of 255.20 g/mol. Its IUPAC name is 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile.

Molecular Properties

Compound Name8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile
PubChem CID121348331
Molecular FormulaC10H8F3N5
Molecular Weight255.20 g/mol
Exact Mass255.07
IUPAC Name8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile
SMILESN#Cc1cn2ncnc2c(CCCC(F)(F)F)n1
InChIInChI=1S/C10H8F3N5/c11-10(12,13)3-1-2-8-9-15-6-16-18(9)5-7(4-14)17-8/h5-6H,1-3H2
InChIKeyWLUFWEWPJIWWQT-UHFFFAOYSA-N
XLogP1.88
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile?
The IUPAC name of 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile (CID 121348331) is 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile.
What is the SMILES notation for 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile?
The canonical SMILES for 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile is N#Cc1cn2ncnc2c(CCCC(F)(F)F)n1.
What is the InChIKey of 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile?
The InChIKey is WLUFWEWPJIWWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5/c11-10(12,13)3-1-2-8-9-15-6-16-18(9)5-7(4-14)17-8/h5-6H,1-3H2.
What are the key properties of 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile?
8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile has a molecular weight of 255.20 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile is sourced from PubChem (CID 121348331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).