5-methylsulfonyl-2-quinolin-6-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C14H11N7O2S — CID 169499127

IUPAC5-methylsulfonyl-2-quinolin-6-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCS(=O)(=O)c1nc(N)n2nc(-c3ccc4ncccc4c3)nc2n1
InChIInChI=1S/C14H11N7O2S/c1-24(22,23)14-18-12(15)21-13(19-14)17-11(20-21)9-4-5-10-8(7-9)3-2-6-16-10/h2-7H,1H3,(H2,15,17,18,19,20)
InChIKeyKFTAWJJJFWOUDZ-UHFFFAOYSA-N
MW341.36 g/mol
LogP0.72
Rot. Bonds2

About 5-methylsulfonyl-2-quinolin-6-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

5-methylsulfonyl-2-quinolin-6-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 169499127) has the molecular formula C14H11N7O2S and a molecular weight of 341.36 g/mol. Its IUPAC name is 5-methylsulfonyl-2-quinolin-6-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name5-methylsulfonyl-2-quinolin-6-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID169499127
Molecular FormulaC14H11N7O2S
Molecular Weight341.36 g/mol
Exact Mass341.07
IUPAC Name5-methylsulfonyl-2-quinolin-6-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCS(=O)(=O)c1nc(N)n2nc(-c3ccc4ncccc4c3)nc2n1
InChIInChI=1S/C14H11N7O2S/c1-24(22,23)14-18-12(15)21-13(19-14)17-11(20-21)9-4-5-10-8(7-9)3-2-6-16-10/h2-7H,1H3,(H2,15,17,18,19,20)
InChIKeyKFTAWJJJFWOUDZ-UHFFFAOYSA-N
XLogP0.72
TPSA129.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-methylsulfonyl-2-quinolin-6-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenyl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499259
6-(4-methylsulfonylphenyl)quinoline
CID 72888822
2-(2-bromo-4-chlorophenyl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499335
2-(2-iodo-5-methoxyphenyl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499639
2-(3-methyl-2-nitrophenyl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499252
ethane;6-methylsulfonylquinoline
CID 156875641
5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine
CID 66300911
2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 65221531
6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875043
5-quinolin-6-yl-1,3,4-oxadiazol-2-amine
CID 62850439
2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide
CID 171909687
(3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 63097229

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-quinolin-6-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 5-methylsulfonyl-2-quinolin-6-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 169499127) is 5-methylsulfonyl-2-quinolin-6-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 5-methylsulfonyl-2-quinolin-6-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 5-methylsulfonyl-2-quinolin-6-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is CS(=O)(=O)c1nc(N)n2nc(-c3ccc4ncccc4c3)nc2n1.
What is the InChIKey of 5-methylsulfonyl-2-quinolin-6-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is KFTAWJJJFWOUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O2S/c1-24(22,23)14-18-12(15)21-13(19-14)17-11(20-21)9-4-5-10-8(7-9)3-2-6-16-10/h2-7H,1H3,(H2,15,17,18,19,20).
What are the key properties of 5-methylsulfonyl-2-quinolin-6-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
5-methylsulfonyl-2-quinolin-6-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 341.36 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-quinolin-6-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 169499127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).