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

C14H15FN6O2S — CID 142784916

IUPACN-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-propylpyridine-3-sulfonamide
SMILESCCCc1ncccc1S(=O)(=O)Nc1cc(F)c2nc(N)nn2c1
InChIInChI=1S/C14H15FN6O2S/c1-2-4-11-12(5-3-6-17-11)24(22,23)20-9-7-10(15)13-18-14(16)19-21(13)8-9/h3,5-8,20H,2,4H2,1H3,(H2,16,19)
InChIKeyZLPBOCXKWCFKEU-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.60
Rot. Bonds5

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

N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-propylpyridine-3-sulfonamide (PubChem CID 142784916) 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)-2-propylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-propylpyridine-3-sulfonamide
PubChem CID142784916
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)-2-propylpyridine-3-sulfonamide
SMILESCCCc1ncccc1S(=O)(=O)Nc1cc(F)c2nc(N)nn2c1
InChIInChI=1S/C14H15FN6O2S/c1-2-4-11-12(5-3-6-17-11)24(22,23)20-9-7-10(15)13-18-14(16)19-21(13)8-9/h3,5-8,20H,2,4H2,1H3,(H2,16,19)
InChIKeyZLPBOCXKWCFKEU-UHFFFAOYSA-N
XLogP1.60
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
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)-2-propylpyridine-3-sulfonamide?
The IUPAC name of N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-propylpyridine-3-sulfonamide (CID 142784916) is N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-propylpyridine-3-sulfonamide.
What is the SMILES notation for N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-propylpyridine-3-sulfonamide?
The canonical SMILES for N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-propylpyridine-3-sulfonamide is CCCc1ncccc1S(=O)(=O)Nc1cc(F)c2nc(N)nn2c1.
What is the InChIKey of N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-propylpyridine-3-sulfonamide?
The InChIKey is ZLPBOCXKWCFKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6O2S/c1-2-4-11-12(5-3-6-17-11)24(22,23)20-9-7-10(15)13-18-14(16)19-21(13)8-9/h3,5-8,20H,2,4H2,1H3,(H2,16,19).
What are the key properties of N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-propylpyridine-3-sulfonamide?
N-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-propylpyridine-3-sulfonamide has a molecular weight of 350.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 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)-2-propylpyridine-3-sulfonamide is sourced from PubChem (CID 142784916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).