6-cyclopropyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-b]pyrazin-3-amine

C15H19N5O — CID 156846851

IUPAC6-cyclopropyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-b]pyrazin-3-amine
SMILESNc1nn(C2CC3CCC(C2)O3)c2nc(C3CC3)cnc12
InChIInChI=1S/C15H19N5O/c16-14-13-15(18-12(7-17-13)8-1-2-8)20(19-14)9-5-10-3-4-11(6-9)21-10/h7-11H,1-6H2,(H2,16,19)
InChIKeyAKBSHPBBUWELGA-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.17
Rot. Bonds2

About 6-cyclopropyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-b]pyrazin-3-amine

6-cyclopropyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-b]pyrazin-3-amine (PubChem CID 156846851) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-cyclopropyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound Name6-cyclopropyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-b]pyrazin-3-amine
PubChem CID156846851
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name6-cyclopropyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-b]pyrazin-3-amine
SMILESNc1nn(C2CC3CCC(C2)O3)c2nc(C3CC3)cnc12
InChIInChI=1S/C15H19N5O/c16-14-13-15(18-12(7-17-13)8-1-2-8)20(19-14)9-5-10-3-4-11(6-9)21-10/h7-11H,1-6H2,(H2,16,19)
InChIKeyAKBSHPBBUWELGA-UHFFFAOYSA-N
XLogP2.17
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-b]pyrazin-3-amine?
The IUPAC name of 6-cyclopropyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-b]pyrazin-3-amine (CID 156846851) is 6-cyclopropyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-b]pyrazin-3-amine.
What is the SMILES notation for 6-cyclopropyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-b]pyrazin-3-amine?
The canonical SMILES for 6-cyclopropyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-b]pyrazin-3-amine is Nc1nn(C2CC3CCC(C2)O3)c2nc(C3CC3)cnc12.
What is the InChIKey of 6-cyclopropyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-b]pyrazin-3-amine?
The InChIKey is AKBSHPBBUWELGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-14-13-15(18-12(7-17-13)8-1-2-8)20(19-14)9-5-10-3-4-11(6-9)21-10/h7-11H,1-6H2,(H2,16,19).
What are the key properties of 6-cyclopropyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-b]pyrazin-3-amine?
6-cyclopropyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-b]pyrazin-3-amine has a molecular weight of 285.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 156846851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).