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

C14H16N4O2 — CID 134793358

IUPAC7-acetyl-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(=O)N1CCn2c(nn(-c3ccc(C)cc3)c2=O)C1
InChIInChI=1S/C14H16N4O2/c1-10-3-5-12(6-4-10)18-14(20)17-8-7-16(11(2)19)9-13(17)15-18/h3-6H,7-9H2,1-2H3
InChIKeyDIROXHNBHNCKER-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.70
Rot. Bonds1

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

7-acetyl-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134793358) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 7-acetyl-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-acetyl-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134793358
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name7-acetyl-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(=O)N1CCn2c(nn(-c3ccc(C)cc3)c2=O)C1
InChIInChI=1S/C14H16N4O2/c1-10-3-5-12(6-4-10)18-14(20)17-8-7-16(11(2)19)9-13(17)15-18/h3-6H,7-9H2,1-2H3
InChIKeyDIROXHNBHNCKER-UHFFFAOYSA-N
XLogP0.70
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-acetyl-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134793358) is 7-acetyl-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-acetyl-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-acetyl-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(=O)N1CCn2c(nn(-c3ccc(C)cc3)c2=O)C1.
What is the InChIKey of 7-acetyl-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is DIROXHNBHNCKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-3-5-12(6-4-10)18-14(20)17-8-7-16(11(2)19)9-13(17)15-18/h3-6H,7-9H2,1-2H3.
What are the key properties of 7-acetyl-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-acetyl-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 272.31 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134793358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).