4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol

C11H8N4O — CID 135882334

IUPAC4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol
SMILESOc1ccc(-c2ncc3cn[nH]c3n2)cc1
InChIInChI=1S/C11H8N4O/c16-9-3-1-7(2-4-9)10-12-5-8-6-13-15-11(8)14-10/h1-6,16H,(H,12,13,14,15)
InChIKeyXYTCYGHNCYRINL-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.73
Rot. Bonds1

About 4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol

4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol (PubChem CID 135882334) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol.

Molecular Properties

Compound Name4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol
PubChem CID135882334
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol
SMILESOc1ccc(-c2ncc3cn[nH]c3n2)cc1
InChIInChI=1S/C11H8N4O/c16-9-3-1-7(2-4-9)10-12-5-8-6-13-15-11(8)14-10/h1-6,16H,(H,12,13,14,15)
InChIKeyXYTCYGHNCYRINL-UHFFFAOYSA-N
XLogP1.73
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol?
The IUPAC name of 4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol (CID 135882334) is 4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol.
What is the SMILES notation for 4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol?
The canonical SMILES for 4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol is Oc1ccc(-c2ncc3cn[nH]c3n2)cc1.
What is the InChIKey of 4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol?
The InChIKey is XYTCYGHNCYRINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-9-3-1-7(2-4-9)10-12-5-8-6-13-15-11(8)14-10/h1-6,16H,(H,12,13,14,15).
What are the key properties of 4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol?
4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol has a molecular weight of 212.21 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol is sourced from PubChem (CID 135882334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).