N-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H12N4O2S — CID 158460632

IUPACN-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1cccc(Nc2nc3ccccn3n2)c1
InChIInChI=1S/C13H12N4O2S/c1-20(18,19)11-6-4-5-10(9-11)14-13-15-12-7-2-3-8-17(12)16-13/h2-9H,1H3,(H,14,16)
InChIKeyILHQKMBSVRADBJ-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.88
Rot. Bonds3

About N-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 158460632) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID158460632
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1cccc(Nc2nc3ccccn3n2)c1
InChIInChI=1S/C13H12N4O2S/c1-20(18,19)11-6-4-5-10(9-11)14-13-15-12-7-2-3-8-17(12)16-13/h2-9H,1H3,(H,14,16)
InChIKeyILHQKMBSVRADBJ-UHFFFAOYSA-N
XLogP1.88
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 158460632) is N-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CS(=O)(=O)c1cccc(Nc2nc3ccccn3n2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is ILHQKMBSVRADBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-20(18,19)11-6-4-5-10(9-11)14-13-15-12-7-2-3-8-17(12)16-13/h2-9H,1H3,(H,14,16).
What are the key properties of N-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 288.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 158460632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).