2-phenyl-2-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)acetonitrile

C13H9N5 — CID 132648143

IUPAC2-phenyl-2-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)acetonitrile
SMILESN#CC(c1ccccc1)c1cncc2nncn12
InChIInChI=1S/C13H9N5/c14-6-11(10-4-2-1-3-5-10)12-7-15-8-13-17-16-9-18(12)13/h1-5,7-9,11H
InChIKeyGDXXENMCGSNJNX-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.78
Rot. Bonds2

About 2-phenyl-2-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)acetonitrile

2-phenyl-2-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)acetonitrile (PubChem CID 132648143) has the molecular formula C13H9N5 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-phenyl-2-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)acetonitrile.

Molecular Properties

Compound Name2-phenyl-2-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)acetonitrile
PubChem CID132648143
Molecular FormulaC13H9N5
Molecular Weight235.25 g/mol
Exact Mass235.09
IUPAC Name2-phenyl-2-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)acetonitrile
SMILESN#CC(c1ccccc1)c1cncc2nncn12
InChIInChI=1S/C13H9N5/c14-6-11(10-4-2-1-3-5-10)12-7-15-8-13-17-16-9-18(12)13/h1-5,7-9,11H
InChIKeyGDXXENMCGSNJNX-UHFFFAOYSA-N
XLogP1.78
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)acetonitrile?
The IUPAC name of 2-phenyl-2-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)acetonitrile (CID 132648143) is 2-phenyl-2-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)acetonitrile.
What is the SMILES notation for 2-phenyl-2-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)acetonitrile?
The canonical SMILES for 2-phenyl-2-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)acetonitrile is N#CC(c1ccccc1)c1cncc2nncn12.
What is the InChIKey of 2-phenyl-2-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)acetonitrile?
The InChIKey is GDXXENMCGSNJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5/c14-6-11(10-4-2-1-3-5-10)12-7-15-8-13-17-16-9-18(12)13/h1-5,7-9,11H.
What are the key properties of 2-phenyl-2-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)acetonitrile?
2-phenyl-2-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)acetonitrile has a molecular weight of 235.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)acetonitrile is sourced from PubChem (CID 132648143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).