1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine

C11H15N5O — CID 171482764

IUPAC1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESC[C@H]([C@@H]1CCOC1)n1ncc2ncc(N)nc21
InChIInChI=1S/C11H15N5O/c1-7(8-2-3-17-6-8)16-11-9(4-14-16)13-5-10(12)15-11/h4-5,7-8H,2-3,6H2,1H3,(H2,12,15)/t7-,8-/m1/s1
InChIKeyAOQBFAJEVNEYMW-HTQZYQBOSA-N
MW233.27 g/mol
LogP1.01
Rot. Bonds2

About 1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine

1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 171482764) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID171482764
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESC[C@H]([C@@H]1CCOC1)n1ncc2ncc(N)nc21
InChIInChI=1S/C11H15N5O/c1-7(8-2-3-17-6-8)16-11-9(4-14-16)13-5-10(12)15-11/h4-5,7-8H,2-3,6H2,1H3,(H2,12,15)/t7-,8-/m1/s1
InChIKeyAOQBFAJEVNEYMW-HTQZYQBOSA-N
XLogP1.01
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine (CID 171482764) is 1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine is C[C@H]([C@@H]1CCOC1)n1ncc2ncc(N)nc21.
What is the InChIKey of 1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is AOQBFAJEVNEYMW-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7(8-2-3-17-6-8)16-11-9(4-14-16)13-5-10(12)15-11/h4-5,7-8H,2-3,6H2,1H3,(H2,12,15)/t7-,8-/m1/s1.
What are the key properties of 1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine?
1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 233.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 171482764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).