6-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine

C8H7F3N4 — CID 166104131

IUPAC6-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine
SMILESCc1cnc2cnn(CC(F)(F)F)c2n1
InChIInChI=1S/C8H7F3N4/c1-5-2-12-6-3-13-15(7(6)14-5)4-8(9,10)11/h2-3H,4H2,1H3
InChIKeyGZFDHSLPLYFGOI-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.70
Rot. Bonds1

About 6-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine

6-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine (PubChem CID 166104131) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 6-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine
PubChem CID166104131
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name6-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine
SMILESCc1cnc2cnn(CC(F)(F)F)c2n1
InChIInChI=1S/C8H7F3N4/c1-5-2-12-6-3-13-15(7(6)14-5)4-8(9,10)11/h2-3H,4H2,1H3
InChIKeyGZFDHSLPLYFGOI-UHFFFAOYSA-N
XLogP1.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine (CID 166104131) is 6-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine is Cc1cnc2cnn(CC(F)(F)F)c2n1.
What is the InChIKey of 6-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine?
The InChIKey is GZFDHSLPLYFGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c1-5-2-12-6-3-13-15(7(6)14-5)4-8(9,10)11/h2-3H,4H2,1H3.
What are the key properties of 6-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine?
6-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine has a molecular weight of 216.17 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 166104131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).