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

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Related Compounds

6-(4-pyrazin-2-ylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 146038817
4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol
CID 154570313
ethyl 4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperazine-1-carboxylate
CID 146042304
6-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine;dihydrochloride
CID 154920541
1-(5-methoxypyrimidin-2-yl)azetidin-3-ol
CID 118346552
1-pyrimidin-2-ylazetidin-3-ol;hydrochloride
CID 155858524
1-(4-methylpyrimidin-2-yl)azetidin-3-ol
CID 63283961
2-[4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperazin-1-yl]-1,3-benzoxazole;dihydrochloride
CID 154920717
6-iodo-1H-pyrazolo[3,4-d]pyrimidine
CID 91507091
(3R,4S)-1-[5-chloro-4-(4-fluoroanilino)pyrimidin-2-yl]pyrrolidine-3,4-diol
CID 136585167
1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol
CID 65419073
N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 171729690

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).