(1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol

C10H13N5O3 — CID 10243872

IUPAC(1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol
SMILESNc1ncnc2c1cnn2[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H13N5O3/c11-9-4-2-14-15(10(4)13-3-12-9)5-1-6(16)8(18)7(5)17/h2-3,5-8,16-18H,1H2,(H2,11,12,13)/t5-,6+,7+,8-/m1/s1
InChIKeyPXPNWJPBCZOCBY-VGRMVHKJSA-N
MW251.25 g/mol
LogP-1.56
Rot. Bonds1

About (1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol

(1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol (PubChem CID 10243872) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is (1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol.

Molecular Properties

Compound Name(1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol
PubChem CID10243872
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name(1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol
SMILESNc1ncnc2c1cnn2[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H13N5O3/c11-9-4-2-14-15(10(4)13-3-12-9)5-1-6(16)8(18)7(5)17/h2-3,5-8,16-18H,1H2,(H2,11,12,13)/t5-,6+,7+,8-/m1/s1
InChIKeyPXPNWJPBCZOCBY-VGRMVHKJSA-N
XLogP-1.56
TPSA130.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol?
The IUPAC name of (1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol (CID 10243872) is (1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol.
What is the SMILES notation for (1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol?
The canonical SMILES for (1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol is Nc1ncnc2c1cnn2[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol?
The InChIKey is PXPNWJPBCZOCBY-VGRMVHKJSA-N. The full InChI is InChI=1S/C10H13N5O3/c11-9-4-2-14-15(10(4)13-3-12-9)5-1-6(16)8(18)7(5)17/h2-3,5-8,16-18H,1H2,(H2,11,12,13)/t5-,6+,7+,8-/m1/s1.
What are the key properties of (1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol?
(1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol has a molecular weight of 251.25 g/mol, XLogP of -1.56, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol is sourced from PubChem (CID 10243872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).