5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide

C14H16N6O2S — CID 44621440

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide
SMILESCCCNS(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1
InChIInChI=1S/C14H16N6O2S/c1-2-4-17-23(21,22)12-6-11(8-16-9-12)10-3-5-20-13(7-10)18-14(15)19-20/h3,5-9,17H,2,4H2,1H3,(H2,15,19)
InChIKeyYVFBCMVHJYQPKJ-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.06
Rot. Bonds5

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide (PubChem CID 44621440) has the molecular formula C14H16N6O2S and a molecular weight of 332.39 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide
PubChem CID44621440
Molecular FormulaC14H16N6O2S
Molecular Weight332.39 g/mol
Exact Mass332.11
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide
SMILESCCCNS(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1
InChIInChI=1S/C14H16N6O2S/c1-2-4-17-23(21,22)12-6-11(8-16-9-12)10-3-5-20-13(7-10)18-14(15)19-20/h3,5-9,17H,2,4H2,1H3,(H2,15,19)
InChIKeyYVFBCMVHJYQPKJ-UHFFFAOYSA-N
XLogP1.06
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide 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 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide (CID 44621440) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide is CCCNS(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide?
The InChIKey is YVFBCMVHJYQPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2S/c1-2-4-17-23(21,22)12-6-11(8-16-9-12)10-3-5-20-13(7-10)18-14(15)19-20/h3,5-9,17H,2,4H2,1H3,(H2,15,19).
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide has a molecular weight of 332.39 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide is sourced from PubChem (CID 44621440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).