1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine

C11H11ClN6 — CID 66687041

IUPAC1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine
SMILESNCC(N)c1nc2ccc(Cl)cc2n2cnnc12
InChIInChI=1S/C11H11ClN6/c12-6-1-2-8-9(3-6)18-5-15-17-11(18)10(16-8)7(14)4-13/h1-3,5,7H,4,13-14H2
InChIKeyYUHZXVDYJVASCF-UHFFFAOYSA-N
MW262.70 g/mol
LogP0.89
Rot. Bonds2

About 1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine

1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine (PubChem CID 66687041) has the molecular formula C11H11ClN6 and a molecular weight of 262.70 g/mol. Its IUPAC name is 1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine
PubChem CID66687041
Molecular FormulaC11H11ClN6
Molecular Weight262.70 g/mol
Exact Mass262.07
IUPAC Name1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine
SMILESNCC(N)c1nc2ccc(Cl)cc2n2cnnc12
InChIInChI=1S/C11H11ClN6/c12-6-1-2-8-9(3-6)18-5-15-17-11(18)10(16-8)7(14)4-13/h1-3,5,7H,4,13-14H2
InChIKeyYUHZXVDYJVASCF-UHFFFAOYSA-N
XLogP0.89
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine 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 1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine (CID 66687041) is 1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine is NCC(N)c1nc2ccc(Cl)cc2n2cnnc12.
What is the InChIKey of 1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine?
The InChIKey is YUHZXVDYJVASCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6/c12-6-1-2-8-9(3-6)18-5-15-17-11(18)10(16-8)7(14)4-13/h1-3,5,7H,4,13-14H2.
What are the key properties of 1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine?
1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine has a molecular weight of 262.70 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66687041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).