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

C8H9N5O — CID 162371074

IUPAC1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-3-ol
SMILESOC1CN(c2ncc3cn[nH]c3n2)C1
InChIInChI=1S/C8H9N5O/c14-6-3-13(4-6)8-9-1-5-2-10-12-7(5)11-8/h1-2,6,14H,3-4H2,(H,9,10,11,12)
InChIKeyQCSCNMNKTBWBAI-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.47
Rot. Bonds1

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

1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-3-ol (PubChem CID 162371074) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-3-ol
PubChem CID162371074
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-3-ol
SMILESOC1CN(c2ncc3cn[nH]c3n2)C1
InChIInChI=1S/C8H9N5O/c14-6-3-13(4-6)8-9-1-5-2-10-12-7(5)11-8/h1-2,6,14H,3-4H2,(H,9,10,11,12)
InChIKeyQCSCNMNKTBWBAI-UHFFFAOYSA-N
XLogP-0.47
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-3-ol?
The IUPAC name of 1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-3-ol (CID 162371074) is 1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-3-ol.
What is the SMILES notation for 1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-3-ol?
The canonical SMILES for 1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-3-ol is OC1CN(c2ncc3cn[nH]c3n2)C1.
What is the InChIKey of 1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-3-ol?
The InChIKey is QCSCNMNKTBWBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c14-6-3-13(4-6)8-9-1-5-2-10-12-7(5)11-8/h1-2,6,14H,3-4H2,(H,9,10,11,12).
What are the key properties of 1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-3-ol?
1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-3-ol has a molecular weight of 191.19 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-3-ol is sourced from PubChem (CID 162371074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).