7-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C8H10N4O — CID 136773974

IUPAC7-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1cc(=O)[nH]c2nc(C)nn12
InChIInChI=1S/C8H10N4O/c1-3-6-4-7(13)10-8-9-5(2)11-12(6)8/h4H,3H2,1-2H3,(H,9,10,11,13)
InChIKeyVQDBIUJSEGGIOU-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.29
Rot. Bonds1

About 7-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

7-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 136773974) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 7-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID136773974
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name7-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1cc(=O)[nH]c2nc(C)nn12
InChIInChI=1S/C8H10N4O/c1-3-6-4-7(13)10-8-9-5(2)11-12(6)8/h4H,3H2,1-2H3,(H,9,10,11,13)
InChIKeyVQDBIUJSEGGIOU-UHFFFAOYSA-N
XLogP0.29
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 136773974) is 7-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCc1cc(=O)[nH]c2nc(C)nn12.
What is the InChIKey of 7-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is VQDBIUJSEGGIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-3-6-4-7(13)10-8-9-5(2)11-12(6)8/h4H,3H2,1-2H3,(H,9,10,11,13).
What are the key properties of 7-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 178.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136773974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).