7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C13H12N4O — CID 175651322

IUPAC7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCc1cccc(-n2ccn3cnnc3c2=O)c1
InChIInChI=1S/C13H12N4O/c1-2-10-4-3-5-11(8-10)17-7-6-16-9-14-15-12(16)13(17)18/h3-9H,2H2,1H3
InChIKeyAXSTYDDEPPDPIF-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.44
Rot. Bonds2

About 7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one

7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 175651322) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID175651322
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCc1cccc(-n2ccn3cnnc3c2=O)c1
InChIInChI=1S/C13H12N4O/c1-2-10-4-3-5-11(8-10)17-7-6-16-9-14-15-12(16)13(17)18/h3-9H,2H2,1H3
InChIKeyAXSTYDDEPPDPIF-UHFFFAOYSA-N
XLogP1.44
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 172906478
2-(cyclopropylmethyl)-7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 175651319
1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione
CID 30566185
1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione
CID 7286786
3-ethylsulfanyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 163355191
ethane;2-(3-ethylphenyl)triazole
CID 144607223
7-(3-chlorophenyl)-2-phenylimidazo[1,2-a]pyrazin-8-one
CID 53036431
N-cyclopentyl-1-(3-ethylphenyl)imidazol-2-amine
CID 106559803
4-(3-ethylphenyl)morpholine-2,6-dione
CID 63777941
N-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
CID 53153357
7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 163358348
N-(4-ethylphenyl)-2-[[7-(3-methoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]acetamide
CID 50806257

Frequently Asked Questions

What is the IUPAC name of 7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 175651322) is 7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CCc1cccc(-n2ccn3cnnc3c2=O)c1.
What is the InChIKey of 7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is AXSTYDDEPPDPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-2-10-4-3-5-11(8-10)17-7-6-16-9-14-15-12(16)13(17)18/h3-9H,2H2,1H3.
What are the key properties of 7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 240.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 175651322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).