N-(2-aminoethyl)-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-3-sulfonamide

C13H15N7O2S — CID 42624036

IUPACN-(2-aminoethyl)-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-3-sulfonamide
SMILESNCCNS(=O)(=O)c1cncc(-c2ccc3nc(N)nn3c2)c1
InChIInChI=1S/C13H15N7O2S/c14-3-4-17-23(21,22)11-5-10(6-16-7-11)9-1-2-12-18-13(15)19-20(12)8-9/h1-2,5-8,17H,3-4,14H2,(H2,15,19)
InChIKeyJXLDIYCZEGIDGM-UHFFFAOYSA-N
MW333.38 g/mol
LogP-0.39
Rot. Bonds5

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

N-(2-aminoethyl)-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-3-sulfonamide (PubChem CID 42624036) has the molecular formula C13H15N7O2S and a molecular weight of 333.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-3-sulfonamide
PubChem CID42624036
Molecular FormulaC13H15N7O2S
Molecular Weight333.38 g/mol
Exact Mass333.10
IUPAC NameN-(2-aminoethyl)-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-3-sulfonamide
SMILESNCCNS(=O)(=O)c1cncc(-c2ccc3nc(N)nn3c2)c1
InChIInChI=1S/C13H15N7O2S/c14-3-4-17-23(21,22)11-5-10(6-16-7-11)9-1-2-12-18-13(15)19-20(12)8-9/h1-2,5-8,17H,3-4,14H2,(H2,15,19)
InChIKeyJXLDIYCZEGIDGM-UHFFFAOYSA-N
XLogP-0.39
TPSA141.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(2-aminoethyl)-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-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 N-(2-aminoethyl)-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-3-sulfonamide (CID 42624036) is N-(2-aminoethyl)-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-3-sulfonamide is NCCNS(=O)(=O)c1cncc(-c2ccc3nc(N)nn3c2)c1.
What is the InChIKey of N-(2-aminoethyl)-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-3-sulfonamide?
The InChIKey is JXLDIYCZEGIDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O2S/c14-3-4-17-23(21,22)11-5-10(6-16-7-11)9-1-2-12-18-13(15)19-20(12)8-9/h1-2,5-8,17H,3-4,14H2,(H2,15,19).
What are the key properties of N-(2-aminoethyl)-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-3-sulfonamide?
N-(2-aminoethyl)-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-3-sulfonamide has a molecular weight of 333.38 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 42624036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).