[(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol

C11H16N6O — CID 503161

IUPAC[(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol
SMILESNc1ncnc2c1nnn2C[C@H]1CCC[C@H]1CO
InChIInChI=1S/C11H16N6O/c12-10-9-11(14-6-13-10)17(16-15-9)4-7-2-1-3-8(7)5-18/h6-8,18H,1-5H2,(H2,12,13,14)/t7-,8+/m1/s1
InChIKeyQIPUEUAIHMZFRN-SFYZADRCSA-N
MW248.29 g/mol
LogP0.21
Rot. Bonds3

About [(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol

[(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol (PubChem CID 503161) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is [(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol
PubChem CID503161
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name[(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol
SMILESNc1ncnc2c1nnn2C[C@H]1CCC[C@H]1CO
InChIInChI=1S/C11H16N6O/c12-10-9-11(14-6-13-10)17(16-15-9)4-7-2-1-3-8(7)5-18/h6-8,18H,1-5H2,(H2,12,13,14)/t7-,8+/m1/s1
InChIKeyQIPUEUAIHMZFRN-SFYZADRCSA-N
XLogP0.21
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol?
The IUPAC name of [(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol (CID 503161) is [(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol.
What is the SMILES notation for [(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol?
The canonical SMILES for [(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol is Nc1ncnc2c1nnn2C[C@H]1CCC[C@H]1CO.
What is the InChIKey of [(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol?
The InChIKey is QIPUEUAIHMZFRN-SFYZADRCSA-N. The full InChI is InChI=1S/C11H16N6O/c12-10-9-11(14-6-13-10)17(16-15-9)4-7-2-1-3-8(7)5-18/h6-8,18H,1-5H2,(H2,12,13,14)/t7-,8+/m1/s1.
What are the key properties of [(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol?
[(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol has a molecular weight of 248.29 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol is sourced from PubChem (CID 503161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).