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

C23H19N5O — CID 11794224

IUPAC2-phenyl-4-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccccc2)nc2c(NCCc3ccccc3)nc3ccccc3n12
InChIInChI=1S/C23H19N5O/c29-23-27-20-14-8-7-13-19(20)25-21(24-16-15-17-9-3-1-4-10-17)22(27)26-28(23)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,24,25)
InChIKeySAPMQYTZNDHFIK-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.69
Rot. Bonds5

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

2-phenyl-4-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 11794224) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-phenyl-4-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name2-phenyl-4-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID11794224
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name2-phenyl-4-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccccc2)nc2c(NCCc3ccccc3)nc3ccccc3n12
InChIInChI=1S/C23H19N5O/c29-23-27-20-14-8-7-13-19(20)25-21(24-16-15-17-9-3-1-4-10-17)22(27)26-28(23)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,24,25)
InChIKeySAPMQYTZNDHFIK-UHFFFAOYSA-N
XLogP3.69
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 2-phenyl-4-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 11794224) is 2-phenyl-4-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 2-phenyl-4-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 2-phenyl-4-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is O=c1n(-c2ccccc2)nc2c(NCCc3ccccc3)nc3ccccc3n12.
What is the InChIKey of 2-phenyl-4-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is SAPMQYTZNDHFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c29-23-27-20-14-8-7-13-19(20)25-21(24-16-15-17-9-3-1-4-10-17)22(27)26-28(23)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,24,25).
What are the key properties of 2-phenyl-4-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
2-phenyl-4-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 381.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 11794224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).