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

C21H22N4O3 — CID 134795666

IUPAC7-[2-(4-methoxyphenyl)acetyl]-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(CC(=O)N2CCn3c(nn(-c4ccc(C)cc4)c3=O)C2)cc1
InChIInChI=1S/C21H22N4O3/c1-15-3-7-17(8-4-15)25-21(27)24-12-11-23(14-19(24)22-25)20(26)13-16-5-9-18(28-2)10-6-16/h3-10H,11-14H2,1-2H3
InChIKeyBOMVGMXYMAXPTL-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.94
Rot. Bonds4

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

7-[2-(4-methoxyphenyl)acetyl]-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134795666) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 7-[2-(4-methoxyphenyl)acetyl]-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-(4-methoxyphenyl)acetyl]-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134795666
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name7-[2-(4-methoxyphenyl)acetyl]-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(CC(=O)N2CCn3c(nn(-c4ccc(C)cc4)c3=O)C2)cc1
InChIInChI=1S/C21H22N4O3/c1-15-3-7-17(8-4-15)25-21(27)24-12-11-23(14-19(24)22-25)20(26)13-16-5-9-18(28-2)10-6-16/h3-10H,11-14H2,1-2H3
InChIKeyBOMVGMXYMAXPTL-UHFFFAOYSA-N
XLogP1.94
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-methoxyphenyl)acetyl]-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-[2-(4-methoxyphenyl)acetyl]-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134795666) is 7-[2-(4-methoxyphenyl)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-[2-(4-methoxyphenyl)acetyl]-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-[2-(4-methoxyphenyl)acetyl]-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COc1ccc(CC(=O)N2CCn3c(nn(-c4ccc(C)cc4)c3=O)C2)cc1.
What is the InChIKey of 7-[2-(4-methoxyphenyl)acetyl]-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is BOMVGMXYMAXPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15-3-7-17(8-4-15)25-21(27)24-12-11-23(14-19(24)22-25)20(26)13-16-5-9-18(28-2)10-6-16/h3-10H,11-14H2,1-2H3.
What are the key properties of 7-[2-(4-methoxyphenyl)acetyl]-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-[2-(4-methoxyphenyl)acetyl]-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 378.43 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-methoxyphenyl)acetyl]-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134795666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).