4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline

C12H12N4S — CID 6460812

IUPAC4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCC(C)Sc1nc2ccccc2n2cnnc12
InChIInChI=1S/C12H12N4S/c1-8(2)17-12-11-15-13-7-16(11)10-6-4-3-5-9(10)14-12/h3-8H,1-2H3
InChIKeyHLQHTJGLBRIRJR-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.78
Rot. Bonds2

About 4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline

4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 6460812) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID6460812
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCC(C)Sc1nc2ccccc2n2cnnc12
InChIInChI=1S/C12H12N4S/c1-8(2)17-12-11-15-13-7-16(11)10-6-4-3-5-9(10)14-12/h3-8H,1-2H3
InChIKeyHLQHTJGLBRIRJR-UHFFFAOYSA-N
XLogP2.78
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 102059594
N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 6622885
4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 7677782
N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide
CID 13385787
N-(4-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide
CID 53082592
N-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide
CID 53082605
N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295767
N-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 6619923
N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20880171
N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431320
4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 7304641
4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 5307993

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 6460812) is 4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline is CC(C)Sc1nc2ccccc2n2cnnc12.
What is the InChIKey of 4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is HLQHTJGLBRIRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-8(2)17-12-11-15-13-7-16(11)10-6-4-3-5-9(10)14-12/h3-8H,1-2H3.
What are the key properties of 4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline?
4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 244.32 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 6460812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).