7-(2-methoxyacetyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C15H18N4O3 — CID 134795347

IUPAC7-(2-methoxyacetyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOCC(=O)N1CCn2c(nn(-c3ccc(C)cc3)c2=O)C1
InChIInChI=1S/C15H18N4O3/c1-11-3-5-12(6-4-11)19-15(21)18-8-7-17(9-13(18)16-19)14(20)10-22-2/h3-6H,7-10H2,1-2H3
InChIKeyZNMUXARPGHNHDB-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.33
Rot. Bonds3

About 7-(2-methoxyacetyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

7-(2-methoxyacetyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134795347) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 7-(2-methoxyacetyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2-methoxyacetyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134795347
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name7-(2-methoxyacetyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOCC(=O)N1CCn2c(nn(-c3ccc(C)cc3)c2=O)C1
InChIInChI=1S/C15H18N4O3/c1-11-3-5-12(6-4-11)19-15(21)18-8-7-17(9-13(18)16-19)14(20)10-22-2/h3-6H,7-10H2,1-2H3
InChIKeyZNMUXARPGHNHDB-UHFFFAOYSA-N
XLogP0.33
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyacetyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-(2-methoxyacetyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134795347) is 7-(2-methoxyacetyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-(2-methoxyacetyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-(2-methoxyacetyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COCC(=O)N1CCn2c(nn(-c3ccc(C)cc3)c2=O)C1.
What is the InChIKey of 7-(2-methoxyacetyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is ZNMUXARPGHNHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-11-3-5-12(6-4-11)19-15(21)18-8-7-17(9-13(18)16-19)14(20)10-22-2/h3-6H,7-10H2,1-2H3.
What are the key properties of 7-(2-methoxyacetyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-(2-methoxyacetyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 302.33 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyacetyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134795347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).