2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one

C10H12N4O5 — CID 135459443

IUPAC2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2nn(C3OC(CO)C(O)C3O)cc12
InChIInChI=1S/C10H12N4O5/c15-2-5-6(16)7(17)10(19-5)14-1-4-8(13-14)11-3-12-9(4)18/h1,3,5-7,10,15-17H,2H2,(H,11,12,13,18)
InChIKeyZHSGHNBMRIOXLR-UHFFFAOYSA-N
MW268.23 g/mol
LogP-2.27
Rot. Bonds2

About 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one

2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135459443) has the molecular formula C10H12N4O5 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135459443
Molecular FormulaC10H12N4O5
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC Name2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2nn(C3OC(CO)C(O)C3O)cc12
InChIInChI=1S/C10H12N4O5/c15-2-5-6(16)7(17)10(19-5)14-1-4-8(13-14)11-3-12-9(4)18/h1,3,5-7,10,15-17H,2H2,(H,11,12,13,18)
InChIKeyZHSGHNBMRIOXLR-UHFFFAOYSA-N
XLogP-2.27
TPSA133.49 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-2.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 135459443) is 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2nn(C3OC(CO)C(O)C3O)cc12.
What is the InChIKey of 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is ZHSGHNBMRIOXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O5/c15-2-5-6(16)7(17)10(19-5)14-1-4-8(13-14)11-3-12-9(4)18/h1,3,5-7,10,15-17H,2H2,(H,11,12,13,18).
What are the key properties of 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one?
2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 268.23 g/mol, XLogP of -2.27, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135459443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).