2-(4-methylphenyl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

C16H14N4O — CID 10778962

IUPAC2-(4-methylphenyl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCc1ccc(N2CN3C(=N2)C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C16H14N4O/c1-11-6-8-12(9-7-11)20-10-19-14-5-3-2-4-13(14)17-16(21)15(19)18-20/h2-9H,10H2,1H3,(H,17,21)
InChIKeyAKZYSDGJLBSGHC-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.54
Rot. Bonds1

About 2-(4-methylphenyl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

2-(4-methylphenyl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 10778962) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID10778962
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name2-(4-methylphenyl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCc1ccc(N2CN3C(=N2)C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C16H14N4O/c1-11-6-8-12(9-7-11)20-10-19-14-5-3-2-4-13(14)17-16(21)15(19)18-20/h2-9H,10H2,1H3,(H,17,21)
InChIKeyAKZYSDGJLBSGHC-UHFFFAOYSA-N
XLogP2.54
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 2-(4-methylphenyl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 10778962) is 2-(4-methylphenyl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is Cc1ccc(N2CN3C(=N2)C(=O)Nc2ccccc23)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is AKZYSDGJLBSGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-6-8-12(9-7-11)20-10-19-14-5-3-2-4-13(14)17-16(21)15(19)18-20/h2-9H,10H2,1H3,(H,17,21).
What are the key properties of 2-(4-methylphenyl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
2-(4-methylphenyl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 278.32 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 10778962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).