6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C8H10N4O2 — CID 136773889

IUPAC6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1c(CCO)c(=O)[nH]c2ncnn12
InChIInChI=1S/C8H10N4O2/c1-5-6(2-3-13)7(14)11-8-9-4-10-12(5)8/h4,13H,2-3H2,1H3,(H,9,10,11,14)
InChIKeyKUEJMNLBKWRFGV-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.74
Rot. Bonds2

About 6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 136773889) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID136773889
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1c(CCO)c(=O)[nH]c2ncnn12
InChIInChI=1S/C8H10N4O2/c1-5-6(2-3-13)7(14)11-8-9-4-10-12(5)8/h4,13H,2-3H2,1H3,(H,9,10,11,14)
InChIKeyKUEJMNLBKWRFGV-UHFFFAOYSA-N
XLogP-0.74
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 136773889) is 6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is Cc1c(CCO)c(=O)[nH]c2ncnn12.
What is the InChIKey of 6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is KUEJMNLBKWRFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-5-6(2-3-13)7(14)11-8-9-4-10-12(5)8/h4,13H,2-3H2,1H3,(H,9,10,11,14).
What are the key properties of 6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 194.19 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136773889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).