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

C22H17N5O — CID 10499201

IUPAC4-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12
InChIInChI=1S/C22H17N5O/c28-22-26-19-14-8-7-13-18(19)24-20(23-15-16-9-3-1-4-10-16)21(26)25-27(22)17-11-5-2-6-12-17/h1-14H,15H2,(H,23,24)
InChIKeyZUEKHVLHKBLSKT-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.65
Rot. Bonds4

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

4-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 10499201) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name4-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID10499201
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name4-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12
InChIInChI=1S/C22H17N5O/c28-22-26-19-14-8-7-13-18(19)24-20(23-15-16-9-3-1-4-10-16)21(26)25-27(22)17-11-5-2-6-12-17/h1-14H,15H2,(H,23,24)
InChIKeyZUEKHVLHKBLSKT-UHFFFAOYSA-N
XLogP3.65
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 4-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 10499201) is 4-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 4-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 4-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12.
What is the InChIKey of 4-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is ZUEKHVLHKBLSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c28-22-26-19-14-8-7-13-18(19)24-20(23-15-16-9-3-1-4-10-16)21(26)25-27(22)17-11-5-2-6-12-17/h1-14H,15H2,(H,23,24).
What are the key properties of 4-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
4-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 367.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 10499201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).