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

C29H23N5O — CID 10551807

IUPAC4-(2,2-diphenylethylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccccc2)nc2c(NCC(c3ccccc3)c3ccccc3)nc3ccccc3n12
InChIInChI=1S/C29H23N5O/c35-29-33-26-19-11-10-18-25(26)31-27(28(33)32-34(29)23-16-8-3-9-17-23)30-20-24(21-12-4-1-5-13-21)22-14-6-2-7-15-22/h1-19,24H,20H2,(H,30,31)
InChIKeyDGGBTTQRSUZHEO-UHFFFAOYSA-N
MW457.54 g/mol
LogP5.28
Rot. Bonds6

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

4-(2,2-diphenylethylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 10551807) has the molecular formula C29H23N5O and a molecular weight of 457.54 g/mol. Its IUPAC name is 4-(2,2-diphenylethylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name4-(2,2-diphenylethylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID10551807
Molecular FormulaC29H23N5O
Molecular Weight457.54 g/mol
Exact Mass457.19
IUPAC Name4-(2,2-diphenylethylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccccc2)nc2c(NCC(c3ccccc3)c3ccccc3)nc3ccccc3n12
InChIInChI=1S/C29H23N5O/c35-29-33-26-19-11-10-18-25(26)31-27(28(33)32-34(29)23-16-8-3-9-17-23)30-20-24(21-12-4-1-5-13-21)22-14-6-2-7-15-22/h1-19,24H,20H2,(H,30,31)
InChIKeyDGGBTTQRSUZHEO-UHFFFAOYSA-N
XLogP5.28
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.54
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diphenylethylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 4-(2,2-diphenylethylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 10551807) is 4-(2,2-diphenylethylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 4-(2,2-diphenylethylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 4-(2,2-diphenylethylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is O=c1n(-c2ccccc2)nc2c(NCC(c3ccccc3)c3ccccc3)nc3ccccc3n12.
What is the InChIKey of 4-(2,2-diphenylethylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is DGGBTTQRSUZHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O/c35-29-33-26-19-11-10-18-25(26)31-27(28(33)32-34(29)23-16-8-3-9-17-23)30-20-24(21-12-4-1-5-13-21)22-14-6-2-7-15-22/h1-19,24H,20H2,(H,30,31).
What are the key properties of 4-(2,2-diphenylethylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
4-(2,2-diphenylethylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 457.54 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diphenylethylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 10551807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).