N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-ethyl-2-methylpyridine-3-sulfonamide

C14H15FN6O2S — CID 142784890

IUPACN-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-ethyl-2-methylpyridine-3-sulfonamide
SMILESCCN(c1cc(F)c2nc(N)nn2c1)S(=O)(=O)c1cccnc1C
InChIInChI=1S/C14H15FN6O2S/c1-3-21(24(22,23)12-5-4-6-17-9(12)2)10-7-11(15)13-18-14(16)19-20(13)8-10/h4-8H,3H2,1-2H3,(H2,16,19)
InChIKeyAHBPOWJVLLHCIP-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.37
Rot. Bonds4

About N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-ethyl-2-methylpyridine-3-sulfonamide

N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-ethyl-2-methylpyridine-3-sulfonamide (PubChem CID 142784890) has the molecular formula C14H15FN6O2S and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-ethyl-2-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-ethyl-2-methylpyridine-3-sulfonamide
PubChem CID142784890
Molecular FormulaC14H15FN6O2S
Molecular Weight350.38 g/mol
Exact Mass350.10
IUPAC NameN-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-ethyl-2-methylpyridine-3-sulfonamide
SMILESCCN(c1cc(F)c2nc(N)nn2c1)S(=O)(=O)c1cccnc1C
InChIInChI=1S/C14H15FN6O2S/c1-3-21(24(22,23)12-5-4-6-17-9(12)2)10-7-11(15)13-18-14(16)19-20(13)8-10/h4-8H,3H2,1-2H3,(H2,16,19)
InChIKeyAHBPOWJVLLHCIP-UHFFFAOYSA-N
XLogP1.37
TPSA106.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-ethyl-2-methylpyridine-3-sulfonamide?
The IUPAC name of N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-ethyl-2-methylpyridine-3-sulfonamide (CID 142784890) is N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-ethyl-2-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-ethyl-2-methylpyridine-3-sulfonamide?
The canonical SMILES for N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-ethyl-2-methylpyridine-3-sulfonamide is CCN(c1cc(F)c2nc(N)nn2c1)S(=O)(=O)c1cccnc1C.
What is the InChIKey of N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-ethyl-2-methylpyridine-3-sulfonamide?
The InChIKey is AHBPOWJVLLHCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6O2S/c1-3-21(24(22,23)12-5-4-6-17-9(12)2)10-7-11(15)13-18-14(16)19-20(13)8-10/h4-8H,3H2,1-2H3,(H2,16,19).
What are the key properties of N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-ethyl-2-methylpyridine-3-sulfonamide?
N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-ethyl-2-methylpyridine-3-sulfonamide has a molecular weight of 350.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-ethyl-2-methylpyridine-3-sulfonamide is sourced from PubChem (CID 142784890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).