2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol

C18H21N5O — CID 78845346

IUPAC2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C18H21N5O/c24-11-9-15-8-4-5-10-22(15)17-12-16(14-6-2-1-3-7-14)21-18-19-13-20-23(17)18/h1-3,6-7,12-13,15,24H,4-5,8-11H2
InChIKeyHPFRRGPEDWDZEQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.53
Rot. Bonds4

About 2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol

2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol (PubChem CID 78845346) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol
PubChem CID78845346
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C18H21N5O/c24-11-9-15-8-4-5-10-22(15)17-12-16(14-6-2-1-3-7-14)21-18-19-13-20-23(17)18/h1-3,6-7,12-13,15,24H,4-5,8-11H2
InChIKeyHPFRRGPEDWDZEQ-UHFFFAOYSA-N
XLogP2.53
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol (CID 78845346) is 2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol is OCCC1CCCCN1c1cc(-c2ccccc2)nc2ncnn12.
What is the InChIKey of 2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol?
The InChIKey is HPFRRGPEDWDZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-11-9-15-8-4-5-10-22(15)17-12-16(14-6-2-1-3-7-14)21-18-19-13-20-23(17)18/h1-3,6-7,12-13,15,24H,4-5,8-11H2.
What are the key properties of 2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol?
2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol has a molecular weight of 323.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 78845346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).