6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide

C13H12BrN3OS — CID 6602873

IUPAC6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide
SMILESBr.Cc1ccc(-c2csc3nc(=O)c(C)nn23)cc1
InChIInChI=1S/C13H11N3OS.BrH/c1-8-3-5-10(6-4-8)11-7-18-13-14-12(17)9(2)15-16(11)13;/h3-7H,1-2H3;1H
InChIKeyVYAMINRLNVVOOI-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.01
Rot. Bonds1

About 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide

6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide (PubChem CID 6602873) has the molecular formula C13H12BrN3OS and a molecular weight of 338.23 g/mol. Its IUPAC name is 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide.

Molecular Properties

Compound Name6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide
PubChem CID6602873
Molecular FormulaC13H12BrN3OS
Molecular Weight338.23 g/mol
Exact Mass336.99
IUPAC Name6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide
SMILESBr.Cc1ccc(-c2csc3nc(=O)c(C)nn23)cc1
InChIInChI=1S/C13H11N3OS.BrH/c1-8-3-5-10(6-4-8)11-7-18-13-14-12(17)9(2)15-16(11)13;/h3-7H,1-2H3;1H
InChIKeyVYAMINRLNVVOOI-UHFFFAOYSA-N
XLogP3.01
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide?
The IUPAC name of 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide (CID 6602873) is 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide.
What is the SMILES notation for 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide?
The canonical SMILES for 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide is Br.Cc1ccc(-c2csc3nc(=O)c(C)nn23)cc1.
What is the InChIKey of 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide?
The InChIKey is VYAMINRLNVVOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS.BrH/c1-8-3-5-10(6-4-8)11-7-18-13-14-12(17)9(2)15-16(11)13;/h3-7H,1-2H3;1H.
What are the key properties of 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide?
6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide has a molecular weight of 338.23 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;hydrobromide is sourced from PubChem (CID 6602873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).