8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C17H13Cl2N5 — CID 22431418

IUPAC8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESClc1ccc(CCNc2nc3ccc(Cl)cc3n3cnnc23)cc1
InChIInChI=1S/C17H13Cl2N5/c18-12-3-1-11(2-4-12)7-8-20-16-17-23-21-10-24(17)15-9-13(19)5-6-14(15)22-16/h1-6,9-10H,7-8H2,(H,20,22)
InChIKeyFXDQEXPKUFWFML-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.24
Rot. Bonds4

About 8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 22431418) has the molecular formula C17H13Cl2N5 and a molecular weight of 358.23 g/mol. Its IUPAC name is 8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID22431418
Molecular FormulaC17H13Cl2N5
Molecular Weight358.23 g/mol
Exact Mass357.05
IUPAC Name8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESClc1ccc(CCNc2nc3ccc(Cl)cc3n3cnnc23)cc1
InChIInChI=1S/C17H13Cl2N5/c18-12-3-1-11(2-4-12)7-8-20-16-17-23-21-10-24(17)15-9-13(19)5-6-14(15)22-16/h1-6,9-10H,7-8H2,(H,20,22)
InChIKeyFXDQEXPKUFWFML-UHFFFAOYSA-N
XLogP4.24
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 22431418) is 8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Clc1ccc(CCNc2nc3ccc(Cl)cc3n3cnnc23)cc1.
What is the InChIKey of 8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is FXDQEXPKUFWFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5/c18-12-3-1-11(2-4-12)7-8-20-16-17-23-21-10-24(17)15-9-13(19)5-6-14(15)22-16/h1-6,9-10H,7-8H2,(H,20,22).
What are the key properties of 8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 358.23 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 22431418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).