6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine

C13H17N5O — CID 156846964

IUPAC6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine
SMILESNc1nn(C2CCOCC2)c2nc(C3CC3)cnc12
InChIInChI=1S/C13H17N5O/c14-12-11-13(16-10(7-15-11)8-1-2-8)18(17-12)9-3-5-19-6-4-9/h7-9H,1-6H2,(H2,14,17)
InChIKeyXCAOPRBAYOFBSG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.64
Rot. Bonds2

About 6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine

6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine (PubChem CID 156846964) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound Name6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine
PubChem CID156846964
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine
SMILESNc1nn(C2CCOCC2)c2nc(C3CC3)cnc12
InChIInChI=1S/C13H17N5O/c14-12-11-13(16-10(7-15-11)8-1-2-8)18(17-12)9-3-5-19-6-4-9/h7-9H,1-6H2,(H2,14,17)
InChIKeyXCAOPRBAYOFBSG-UHFFFAOYSA-N
XLogP1.64
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine?
The IUPAC name of 6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine (CID 156846964) is 6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine.
What is the SMILES notation for 6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine?
The canonical SMILES for 6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine is Nc1nn(C2CCOCC2)c2nc(C3CC3)cnc12.
What is the InChIKey of 6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine?
The InChIKey is XCAOPRBAYOFBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c14-12-11-13(16-10(7-15-11)8-1-2-8)18(17-12)9-3-5-19-6-4-9/h7-9H,1-6H2,(H2,14,17).
What are the key properties of 6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine?
6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine has a molecular weight of 259.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 156846964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).