N-methyl-N-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanesulfonamide

C15H16N4O3S — CID 164699949

IUPACN-methyl-N-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanesulfonamide
SMILESCN(c1ccc(OCc2cccc3ncnn23)cc1)S(C)(=O)=O
InChIInChI=1S/C15H16N4O3S/c1-18(23(2,20)21)12-6-8-14(9-7-12)22-10-13-4-3-5-15-16-11-17-19(13)15/h3-9,11H,10H2,1-2H3
InChIKeyRZSZTWUWGKCPHS-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.70
Rot. Bonds5

About N-methyl-N-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanesulfonamide

N-methyl-N-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanesulfonamide (PubChem CID 164699949) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is N-methyl-N-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanesulfonamide
PubChem CID164699949
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC NameN-methyl-N-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanesulfonamide
SMILESCN(c1ccc(OCc2cccc3ncnn23)cc1)S(C)(=O)=O
InChIInChI=1S/C15H16N4O3S/c1-18(23(2,20)21)12-6-8-14(9-7-12)22-10-13-4-3-5-15-16-11-17-19(13)15/h3-9,11H,10H2,1-2H3
InChIKeyRZSZTWUWGKCPHS-UHFFFAOYSA-N
XLogP1.70
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanesulfonamide (CID 164699949) is N-methyl-N-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanesulfonamide is CN(c1ccc(OCc2cccc3ncnn23)cc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanesulfonamide?
The InChIKey is RZSZTWUWGKCPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-18(23(2,20)21)12-6-8-14(9-7-12)22-10-13-4-3-5-15-16-11-17-19(13)15/h3-9,11H,10H2,1-2H3.
What are the key properties of N-methyl-N-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanesulfonamide?
N-methyl-N-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanesulfonamide has a molecular weight of 332.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 164699949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).