methyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate

C14H16N4O3 — CID 134792094

IUPACmethyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
SMILESCOC(=O)N1CCn2c(nn(-c3ccc(C)cc3)c2=O)C1
InChIInChI=1S/C14H16N4O3/c1-10-3-5-11(6-4-10)18-13(19)17-8-7-16(14(20)21-2)9-12(17)15-18/h3-6H,7-9H2,1-2H3
InChIKeyODNNXAYAAFYEQB-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.92
Rot. Bonds1

About methyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate

methyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (PubChem CID 134792094) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is methyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
PubChem CID134792094
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Namemethyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
SMILESCOC(=O)N1CCn2c(nn(-c3ccc(C)cc3)c2=O)C1
InChIInChI=1S/C14H16N4O3/c1-10-3-5-11(6-4-10)18-13(19)17-8-7-16(14(20)21-2)9-12(17)15-18/h3-6H,7-9H2,1-2H3
InChIKeyODNNXAYAAFYEQB-UHFFFAOYSA-N
XLogP0.92
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The IUPAC name of methyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (CID 134792094) is methyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The canonical SMILES for methyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is COC(=O)N1CCn2c(nn(-c3ccc(C)cc3)c2=O)C1.
What is the InChIKey of methyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The InChIKey is ODNNXAYAAFYEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-10-3-5-11(6-4-10)18-13(19)17-8-7-16(14(20)21-2)9-12(17)15-18/h3-6H,7-9H2,1-2H3.
What are the key properties of methyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
methyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate has a molecular weight of 288.31 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is sourced from PubChem (CID 134792094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).