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

C7H8N4O — CID 10920851

IUPAC1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethanol
SMILESCC(O)c1ccnc2ncnn12
InChIInChI=1S/C7H8N4O/c1-5(12)6-2-3-8-7-9-4-10-11(6)7/h2-5,12H,1H3
InChIKeyKJPYETXOQANQSE-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.18
Rot. Bonds1

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

1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethanol (PubChem CID 10920851) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethanol.

Molecular Properties

Compound Name1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethanol
PubChem CID10920851
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethanol
SMILESCC(O)c1ccnc2ncnn12
InChIInChI=1S/C7H8N4O/c1-5(12)6-2-3-8-7-9-4-10-11(6)7/h2-5,12H,1H3
InChIKeyKJPYETXOQANQSE-UHFFFAOYSA-N
XLogP0.18
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethanol?
The IUPAC name of 1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethanol (CID 10920851) is 1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethanol.
What is the SMILES notation for 1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethanol?
The canonical SMILES for 1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethanol is CC(O)c1ccnc2ncnn12.
What is the InChIKey of 1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethanol?
The InChIKey is KJPYETXOQANQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-5(12)6-2-3-8-7-9-4-10-11(6)7/h2-5,12H,1H3.
What are the key properties of 1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethanol?
1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethanol has a molecular weight of 164.17 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethanol is sourced from PubChem (CID 10920851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).