2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol

C15H20N8O — CID 86774237

IUPAC2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
SMILESCn1cnnc1C1CCCN(c2ncnc3c2cnn3CCO)C1
InChIInChI=1S/C15H20N8O/c1-21-10-18-20-13(21)11-3-2-4-22(8-11)14-12-7-19-23(5-6-24)15(12)17-9-16-14/h7,9-11,24H,2-6,8H2,1H3
InChIKeySNNIPIMZQMRBBT-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.33
Rot. Bonds4

About 2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol

2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol (PubChem CID 86774237) has the molecular formula C15H20N8O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
PubChem CID86774237
Molecular FormulaC15H20N8O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
SMILESCn1cnnc1C1CCCN(c2ncnc3c2cnn3CCO)C1
InChIInChI=1S/C15H20N8O/c1-21-10-18-20-13(21)11-3-2-4-22(8-11)14-12-7-19-23(5-6-24)15(12)17-9-16-14/h7,9-11,24H,2-6,8H2,1H3
InChIKeySNNIPIMZQMRBBT-UHFFFAOYSA-N
XLogP0.33
TPSA97.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol (CID 86774237) is 2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol is Cn1cnnc1C1CCCN(c2ncnc3c2cnn3CCO)C1.
What is the InChIKey of 2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol?
The InChIKey is SNNIPIMZQMRBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O/c1-21-10-18-20-13(21)11-3-2-4-22(8-11)14-12-7-19-23(5-6-24)15(12)17-9-16-14/h7,9-11,24H,2-6,8H2,1H3.
What are the key properties of 2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol?
2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol has a molecular weight of 328.38 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol is sourced from PubChem (CID 86774237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).