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

C16H18ClN5 — CID 20889067

IUPAC8-chloro-N-(2-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCC1CCCCC1Nc1nc2ccc(Cl)cc2n2cnnc12
InChIInChI=1S/C16H18ClN5/c1-10-4-2-3-5-12(10)19-15-16-21-18-9-22(16)14-8-11(17)6-7-13(14)20-15/h6-10,12H,2-5H2,1H3,(H,19,20)
InChIKeyAYBTYSCPHUKXCY-UHFFFAOYSA-N
MW315.81 g/mol
LogP3.92
Rot. Bonds2

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

8-chloro-N-(2-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 20889067) has the molecular formula C16H18ClN5 and a molecular weight of 315.81 g/mol. Its IUPAC name is 8-chloro-N-(2-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name8-chloro-N-(2-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID20889067
Molecular FormulaC16H18ClN5
Molecular Weight315.81 g/mol
Exact Mass315.13
IUPAC Name8-chloro-N-(2-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCC1CCCCC1Nc1nc2ccc(Cl)cc2n2cnnc12
InChIInChI=1S/C16H18ClN5/c1-10-4-2-3-5-12(10)19-15-16-21-18-9-22(16)14-8-11(17)6-7-13(14)20-15/h6-10,12H,2-5H2,1H3,(H,19,20)
InChIKeyAYBTYSCPHUKXCY-UHFFFAOYSA-N
XLogP3.92
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-chloro-N-(2-methylcyclohexyl)-[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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 8-chloro-N-(2-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 20889067) is 8-chloro-N-(2-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 8-chloro-N-(2-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 8-chloro-N-(2-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CC1CCCCC1Nc1nc2ccc(Cl)cc2n2cnnc12.
What is the InChIKey of 8-chloro-N-(2-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is AYBTYSCPHUKXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5/c1-10-4-2-3-5-12(10)19-15-16-21-18-9-22(16)14-8-11(17)6-7-13(14)20-15/h6-10,12H,2-5H2,1H3,(H,19,20).
What are the key properties of 8-chloro-N-(2-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
8-chloro-N-(2-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 315.81 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 20889067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).