N-(3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanesulfonamide

C15H16N4O2S — CID 155558069

IUPACN-(3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccccc2)cn2c(C)nnc12
InChIInChI=1S/C15H16N4O2S/c1-3-22(20,21)18-14-9-13(12-7-5-4-6-8-12)10-19-11(2)16-17-15(14)19/h4-10,18H,3H2,1-2H3
InChIKeySRSIMIYIOZXTPL-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.47
Rot. Bonds4

About N-(3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanesulfonamide

N-(3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanesulfonamide (PubChem CID 155558069) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanesulfonamide
PubChem CID155558069
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccccc2)cn2c(C)nnc12
InChIInChI=1S/C15H16N4O2S/c1-3-22(20,21)18-14-9-13(12-7-5-4-6-8-12)10-19-11(2)16-17-15(14)19/h4-10,18H,3H2,1-2H3
InChIKeySRSIMIYIOZXTPL-UHFFFAOYSA-N
XLogP2.47
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanesulfonamide?
The IUPAC name of N-(3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanesulfonamide (CID 155558069) is N-(3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanesulfonamide.
What is the SMILES notation for N-(3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanesulfonamide?
The canonical SMILES for N-(3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2ccccc2)cn2c(C)nnc12.
What is the InChIKey of N-(3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanesulfonamide?
The InChIKey is SRSIMIYIOZXTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-3-22(20,21)18-14-9-13(12-7-5-4-6-8-12)10-19-11(2)16-17-15(14)19/h4-10,18H,3H2,1-2H3.
What are the key properties of N-(3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanesulfonamide?
N-(3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanesulfonamide has a molecular weight of 316.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanesulfonamide is sourced from PubChem (CID 155558069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).