2-methyl-6-(5-methylbenzotriazol-2-yl)-[1,3]thiazolo[5,4-b]quinoxaline

C17H12N6S — CID 15091437

IUPAC2-methyl-6-(5-methylbenzotriazol-2-yl)-[1,3]thiazolo[5,4-b]quinoxaline
SMILESCc1ccc2nn(-c3ccc4nc5sc(C)nc5nc4c3)nc2c1
InChIInChI=1S/C17H12N6S/c1-9-3-5-13-15(7-9)22-23(21-13)11-4-6-12-14(8-11)19-16-17(20-12)24-10(2)18-16/h3-8H,1-2H3
InChIKeyUSVRESXPJJYSEA-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.59
Rot. Bonds1

About 2-methyl-6-(5-methylbenzotriazol-2-yl)-[1,3]thiazolo[5,4-b]quinoxaline

2-methyl-6-(5-methylbenzotriazol-2-yl)-[1,3]thiazolo[5,4-b]quinoxaline (PubChem CID 15091437) has the molecular formula C17H12N6S and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-methyl-6-(5-methylbenzotriazol-2-yl)-[1,3]thiazolo[5,4-b]quinoxaline.

Molecular Properties

Compound Name2-methyl-6-(5-methylbenzotriazol-2-yl)-[1,3]thiazolo[5,4-b]quinoxaline
PubChem CID15091437
Molecular FormulaC17H12N6S
Molecular Weight332.39 g/mol
Exact Mass332.08
IUPAC Name2-methyl-6-(5-methylbenzotriazol-2-yl)-[1,3]thiazolo[5,4-b]quinoxaline
SMILESCc1ccc2nn(-c3ccc4nc5sc(C)nc5nc4c3)nc2c1
InChIInChI=1S/C17H12N6S/c1-9-3-5-13-15(7-9)22-23(21-13)11-4-6-12-14(8-11)19-16-17(20-12)24-10(2)18-16/h3-8H,1-2H3
InChIKeyUSVRESXPJJYSEA-UHFFFAOYSA-N
XLogP3.59
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-2-(3-methylphenyl)benzotriazole
CID 57226885
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CID 54003664
methane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole
CID 160638950
8-methylphenazin-1-ol
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1,3,8-trimethylphenazine
CID 146170130
3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline
CID 15882579
6-methyl-2,3-bis(methylsulfanyl)quinoxaline
CID 139445231
7-methylphenazin-2-ol
CID 135430298
5-methoxy-4-methyl-2-(5-methylbenzotriazol-2-yl)aniline
CID 163484489
N-methyl-1-(5-methylbenzotriazol-2-yl)methanamine
CID 70067388
5-methyl-2-pyrrolidin-1-ylbenzotriazole
CID 102225688
2-(5-methylbenzotriazol-2-yl)ethanol
CID 83968941

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(5-methylbenzotriazol-2-yl)-[1,3]thiazolo[5,4-b]quinoxaline?
The IUPAC name of 2-methyl-6-(5-methylbenzotriazol-2-yl)-[1,3]thiazolo[5,4-b]quinoxaline (CID 15091437) is 2-methyl-6-(5-methylbenzotriazol-2-yl)-[1,3]thiazolo[5,4-b]quinoxaline.
What is the SMILES notation for 2-methyl-6-(5-methylbenzotriazol-2-yl)-[1,3]thiazolo[5,4-b]quinoxaline?
The canonical SMILES for 2-methyl-6-(5-methylbenzotriazol-2-yl)-[1,3]thiazolo[5,4-b]quinoxaline is Cc1ccc2nn(-c3ccc4nc5sc(C)nc5nc4c3)nc2c1.
What is the InChIKey of 2-methyl-6-(5-methylbenzotriazol-2-yl)-[1,3]thiazolo[5,4-b]quinoxaline?
The InChIKey is USVRESXPJJYSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6S/c1-9-3-5-13-15(7-9)22-23(21-13)11-4-6-12-14(8-11)19-16-17(20-12)24-10(2)18-16/h3-8H,1-2H3.
What are the key properties of 2-methyl-6-(5-methylbenzotriazol-2-yl)-[1,3]thiazolo[5,4-b]quinoxaline?
2-methyl-6-(5-methylbenzotriazol-2-yl)-[1,3]thiazolo[5,4-b]quinoxaline has a molecular weight of 332.39 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(5-methylbenzotriazol-2-yl)-[1,3]thiazolo[5,4-b]quinoxaline is sourced from PubChem (CID 15091437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).