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

C21H21ClN6 — CID 20889066

IUPACN-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESClc1ccc2nc(NC3CCN(Cc4ccccc4)CC3)c3nncn3c2c1
InChIInChI=1S/C21H21ClN6/c22-16-6-7-18-19(12-16)28-14-23-26-21(28)20(25-18)24-17-8-10-27(11-9-17)13-15-4-2-1-3-5-15/h1-7,12,14,17H,8-11,13H2,(H,24,25)
InChIKeyUKNLIJBMADLXEW-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.01
Rot. Bonds4

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

N-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 20889066) has the molecular formula C21H21ClN6 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID20889066
Molecular FormulaC21H21ClN6
Molecular Weight392.89 g/mol
Exact Mass392.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESClc1ccc2nc(NC3CCN(Cc4ccccc4)CC3)c3nncn3c2c1
InChIInChI=1S/C21H21ClN6/c22-16-6-7-18-19(12-16)28-14-23-26-21(28)20(25-18)24-17-8-10-27(11-9-17)13-15-4-2-1-3-5-15/h1-7,12,14,17H,8-11,13H2,(H,24,25)
InChIKeyUKNLIJBMADLXEW-UHFFFAOYSA-N
XLogP4.01
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431418
2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine
CID 22922520
6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
CID 114074043
4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline
CID 10619583
1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473
8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 22431420
N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 162366578
8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 22431422
2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide
CID 71495154
N-(1-benzylpiperidin-4-yl)-1H-indol-2-amine
CID 141333919
N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
CID 90040007
1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole
CID 18324773

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 20889066) is N-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Clc1ccc2nc(NC3CCN(Cc4ccccc4)CC3)c3nncn3c2c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is UKNLIJBMADLXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6/c22-16-6-7-18-19(12-16)28-14-23-26-21(28)20(25-18)24-17-8-10-27(11-9-17)13-15-4-2-1-3-5-15/h1-7,12,14,17H,8-11,13H2,(H,24,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 392.89 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 20889066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).