4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine

C24H15BrN6O2 — CID 67892094

IUPAC4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine
SMILESBrc1ccc(Nc2nncn2-c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1
InChIInChI=1S/C24H15BrN6O2/c25-15-5-7-16(8-6-15)27-24-30-26-14-31(24)17-9-10-18-19(13-17)29-23(21-4-2-12-33-21)22(28-18)20-3-1-11-32-20/h1-14H,(H,27,30)
InChIKeyWRHGXIJJRGUVHX-UHFFFAOYSA-N
MW499.33 g/mol
LogP6.24
Rot. Bonds5

About 4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine

4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine (PubChem CID 67892094) has the molecular formula C24H15BrN6O2 and a molecular weight of 499.33 g/mol. Its IUPAC name is 4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine
PubChem CID67892094
Molecular FormulaC24H15BrN6O2
Molecular Weight499.33 g/mol
Exact Mass498.04
IUPAC Name4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine
SMILESBrc1ccc(Nc2nncn2-c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1
InChIInChI=1S/C24H15BrN6O2/c25-15-5-7-16(8-6-15)27-24-30-26-14-31(24)17-9-10-18-19(13-17)29-23(21-4-2-12-33-21)22(28-18)20-3-1-11-32-20/h1-14H,(H,27,30)
InChIKeyWRHGXIJJRGUVHX-UHFFFAOYSA-N
XLogP6.24
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.33
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine (CID 67892094) is 4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine is Brc1ccc(Nc2nncn2-c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.
What is the InChIKey of 4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine?
The InChIKey is WRHGXIJJRGUVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrN6O2/c25-15-5-7-16(8-6-15)27-24-30-26-14-31(24)17-9-10-18-19(13-17)29-23(21-4-2-12-33-21)22(28-18)20-3-1-11-32-20/h1-14H,(H,27,30).
What are the key properties of 4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine?
4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine has a molecular weight of 499.33 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 67892094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).