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

C12H15F3N4O — CID 166104623

IUPAC6-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine
SMILESCC(C)c1cnc2cnn(CCOCC(F)(F)F)c2n1
InChIInChI=1S/C12H15F3N4O/c1-8(2)9-5-16-10-6-17-19(11(10)18-9)3-4-20-7-12(13,14)15/h5-6,8H,3-4,7H2,1-2H3
InChIKeyAKCGCWIWMUXUAO-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.53
Rot. Bonds5

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

6-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine (PubChem CID 166104623) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 6-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine
PubChem CID166104623
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name6-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine
SMILESCC(C)c1cnc2cnn(CCOCC(F)(F)F)c2n1
InChIInChI=1S/C12H15F3N4O/c1-8(2)9-5-16-10-6-17-19(11(10)18-9)3-4-20-7-12(13,14)15/h5-6,8H,3-4,7H2,1-2H3
InChIKeyAKCGCWIWMUXUAO-UHFFFAOYSA-N
XLogP2.53
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.53
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-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine (CID 166104623) is 6-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine is CC(C)c1cnc2cnn(CCOCC(F)(F)F)c2n1.
What is the InChIKey of 6-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine?
The InChIKey is AKCGCWIWMUXUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c1-8(2)9-5-16-10-6-17-19(11(10)18-9)3-4-20-7-12(13,14)15/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 6-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine?
6-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine has a molecular weight of 288.27 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 166104623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).