2-phenyl-4-(3-phenylpropylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

C24H21N5O — CID 10596858

IUPAC2-phenyl-4-(3-phenylpropylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccccc2)nc2c(NCCCc3ccccc3)nc3ccccc3n12
InChIInChI=1S/C24H21N5O/c30-24-28-21-16-8-7-15-20(21)26-22(25-17-9-12-18-10-3-1-4-11-18)23(28)27-29(24)19-13-5-2-6-14-19/h1-8,10-11,13-16H,9,12,17H2,(H,25,26)
InChIKeyUXESUNGICYNFRJ-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.08
Rot. Bonds6

About 2-phenyl-4-(3-phenylpropylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

2-phenyl-4-(3-phenylpropylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 10596858) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylpropylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name2-phenyl-4-(3-phenylpropylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID10596858
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name2-phenyl-4-(3-phenylpropylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccccc2)nc2c(NCCCc3ccccc3)nc3ccccc3n12
InChIInChI=1S/C24H21N5O/c30-24-28-21-16-8-7-15-20(21)26-22(25-17-9-12-18-10-3-1-4-11-18)23(28)27-29(24)19-13-5-2-6-14-19/h1-8,10-11,13-16H,9,12,17H2,(H,25,26)
InChIKeyUXESUNGICYNFRJ-UHFFFAOYSA-N
XLogP4.08
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-phenylpropylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 2-phenyl-4-(3-phenylpropylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 10596858) is 2-phenyl-4-(3-phenylpropylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 2-phenyl-4-(3-phenylpropylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 2-phenyl-4-(3-phenylpropylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is O=c1n(-c2ccccc2)nc2c(NCCCc3ccccc3)nc3ccccc3n12.
What is the InChIKey of 2-phenyl-4-(3-phenylpropylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is UXESUNGICYNFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c30-24-28-21-16-8-7-15-20(21)26-22(25-17-9-12-18-10-3-1-4-11-18)23(28)27-29(24)19-13-5-2-6-14-19/h1-8,10-11,13-16H,9,12,17H2,(H,25,26).
What are the key properties of 2-phenyl-4-(3-phenylpropylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
2-phenyl-4-(3-phenylpropylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 395.47 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-phenylpropylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 10596858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).