2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol

C15H20N8O — CID 46998330

IUPAC2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(C2CCN(c3ncnc4nc[nH]c34)CC2)nn1
InChIInChI=1S/C15H20N8O/c1-15(2,24)11-7-23(21-20-11)10-3-5-22(6-4-10)14-12-13(17-8-16-12)18-9-19-14/h7-10,24H,3-6H2,1-2H3,(H,16,17,18,19)
InChIKeyXOVKMHUSPNVZQE-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.01
Rot. Bonds3

About 2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol

2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol (PubChem CID 46998330) has the molecular formula C15H20N8O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol
PubChem CID46998330
Molecular FormulaC15H20N8O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(C2CCN(c3ncnc4nc[nH]c34)CC2)nn1
InChIInChI=1S/C15H20N8O/c1-15(2,24)11-7-23(21-20-11)10-3-5-22(6-4-10)14-12-13(17-8-16-12)18-9-19-14/h7-10,24H,3-6H2,1-2H3,(H,16,17,18,19)
InChIKeyXOVKMHUSPNVZQE-UHFFFAOYSA-N
XLogP1.01
TPSA108.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol (CID 46998330) is 2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol is CC(C)(O)c1cn(C2CCN(c3ncnc4nc[nH]c34)CC2)nn1.
What is the InChIKey of 2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol?
The InChIKey is XOVKMHUSPNVZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O/c1-15(2,24)11-7-23(21-20-11)10-3-5-22(6-4-10)14-12-13(17-8-16-12)18-9-19-14/h7-10,24H,3-6H2,1-2H3,(H,16,17,18,19).
What are the key properties of 2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol?
2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol has a molecular weight of 328.38 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 46998330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).