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

C12H17N5O — CID 175872441

IUPAC1-[(1S)-1-[(3R)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESC[C@@H]([C@H]1CCCOC1)n1ncc2ncc(N)nc21
InChIInChI=1S/C12H17N5O/c1-8(9-3-2-4-18-7-9)17-12-10(5-15-17)14-6-11(13)16-12/h5-6,8-9H,2-4,7H2,1H3,(H2,13,16)/t8-,9-/m0/s1
InChIKeyCWJSEFOEVXRVNM-IUCAKERBSA-N
MW247.30 g/mol
LogP1.40
Rot. Bonds2

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

1-[(1S)-1-[(3R)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 175872441) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[(1S)-1-[(3R)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name1-[(1S)-1-[(3R)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID175872441
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-[(1S)-1-[(3R)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESC[C@@H]([C@H]1CCCOC1)n1ncc2ncc(N)nc21
InChIInChI=1S/C12H17N5O/c1-8(9-3-2-4-18-7-9)17-12-10(5-15-17)14-6-11(13)16-12/h5-6,8-9H,2-4,7H2,1H3,(H2,13,16)/t8-,9-/m0/s1
InChIKeyCWJSEFOEVXRVNM-IUCAKERBSA-N
XLogP1.40
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[(3R)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 1-[(1S)-1-[(3R)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine (CID 175872441) is 1-[(1S)-1-[(3R)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 1-[(1S)-1-[(3R)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 1-[(1S)-1-[(3R)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine is C[C@@H]([C@H]1CCCOC1)n1ncc2ncc(N)nc21.
What is the InChIKey of 1-[(1S)-1-[(3R)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is CWJSEFOEVXRVNM-IUCAKERBSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(9-3-2-4-18-7-9)17-12-10(5-15-17)14-6-11(13)16-12/h5-6,8-9H,2-4,7H2,1H3,(H2,13,16)/t8-,9-/m0/s1.
What are the key properties of 1-[(1S)-1-[(3R)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine?
1-[(1S)-1-[(3R)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 247.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[(3R)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 175872441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).