N-(4-methylsulfonylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C17H14N6O2S — CID 171344595

IUPACN-(4-methylsulfonylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(Nc2nc3nccc(-c4cccnc4)n3n2)cc1
InChIInChI=1S/C17H14N6O2S/c1-26(24,25)14-6-4-13(5-7-14)20-16-21-17-19-10-8-15(23(17)22-16)12-3-2-9-18-11-12/h2-11H,1H3,(H,20,22)
InChIKeyZYGIIHXGMZTEFK-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.33
Rot. Bonds4

About N-(4-methylsulfonylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

N-(4-methylsulfonylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 171344595) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID171344595
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC NameN-(4-methylsulfonylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(Nc2nc3nccc(-c4cccnc4)n3n2)cc1
InChIInChI=1S/C17H14N6O2S/c1-26(24,25)14-6-4-13(5-7-14)20-16-21-17-19-10-8-15(23(17)22-16)12-3-2-9-18-11-12/h2-11H,1H3,(H,20,22)
InChIKeyZYGIIHXGMZTEFK-UHFFFAOYSA-N
XLogP2.33
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-methylsulfonylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N-(4-methylsulfonylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 171344595) is N-(4-methylsulfonylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N-(4-methylsulfonylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is CS(=O)(=O)c1ccc(Nc2nc3nccc(-c4cccnc4)n3n2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is ZYGIIHXGMZTEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-26(24,25)14-6-4-13(5-7-14)20-16-21-17-19-10-8-15(23(17)22-16)12-3-2-9-18-11-12/h2-11H,1H3,(H,20,22).
What are the key properties of N-(4-methylsulfonylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
N-(4-methylsulfonylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 366.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 171344595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).