1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)ethane-1,2-diol

C7H9N5O2 — CID 141364829

IUPAC1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)ethane-1,2-diol
SMILESNc1ncnc2n[nH]c(C(O)CO)c12
InChIInChI=1S/C7H9N5O2/c8-6-4-5(3(14)1-13)11-12-7(4)10-2-9-6/h2-3,13-14H,1H2,(H3,8,9,10,11,12)
InChIKeyOYNOTMUVJLNPQG-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.04
Rot. Bonds2

About 1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)ethane-1,2-diol

1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)ethane-1,2-diol (PubChem CID 141364829) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)ethane-1,2-diol
PubChem CID141364829
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)ethane-1,2-diol
SMILESNc1ncnc2n[nH]c(C(O)CO)c12
InChIInChI=1S/C7H9N5O2/c8-6-4-5(3(14)1-13)11-12-7(4)10-2-9-6/h2-3,13-14H,1H2,(H3,8,9,10,11,12)
InChIKeyOYNOTMUVJLNPQG-UHFFFAOYSA-N
XLogP-1.04
TPSA120.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)ethane-1,2-diol?
The IUPAC name of 1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)ethane-1,2-diol (CID 141364829) is 1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)ethane-1,2-diol?
The canonical SMILES for 1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)ethane-1,2-diol is Nc1ncnc2n[nH]c(C(O)CO)c12.
What is the InChIKey of 1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)ethane-1,2-diol?
The InChIKey is OYNOTMUVJLNPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c8-6-4-5(3(14)1-13)11-12-7(4)10-2-9-6/h2-3,13-14H,1H2,(H3,8,9,10,11,12).
What are the key properties of 1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)ethane-1,2-diol?
1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)ethane-1,2-diol has a molecular weight of 195.18 g/mol, XLogP of -1.04, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)ethane-1,2-diol is sourced from PubChem (CID 141364829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).