6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine

C11H13F3N4O — CID 166104332

IUPAC6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine
SMILESCCc1cnc2cnn(CCOCC(F)(F)F)c2n1
InChIInChI=1S/C11H13F3N4O/c1-2-8-5-15-9-6-16-18(10(9)17-8)3-4-19-7-11(12,13)14/h5-6H,2-4,7H2,1H3
InChIKeyVLDCHZQYEGQGJP-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.97
Rot. Bonds5

About 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine

6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine (PubChem CID 166104332) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine
PubChem CID166104332
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine
SMILESCCc1cnc2cnn(CCOCC(F)(F)F)c2n1
InChIInChI=1S/C11H13F3N4O/c1-2-8-5-15-9-6-16-18(10(9)17-8)3-4-19-7-11(12,13)14/h5-6H,2-4,7H2,1H3
InChIKeyVLDCHZQYEGQGJP-UHFFFAOYSA-N
XLogP1.97
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine (CID 166104332) is 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine is CCc1cnc2cnn(CCOCC(F)(F)F)c2n1.
What is the InChIKey of 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine?
The InChIKey is VLDCHZQYEGQGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-2-8-5-15-9-6-16-18(10(9)17-8)3-4-19-7-11(12,13)14/h5-6H,2-4,7H2,1H3.
What are the key properties of 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine?
6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine has a molecular weight of 274.25 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 166104332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).