N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propane-1-sulfonamide

C9H12N4O2S — CID 53190717

IUPACN-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccn2ncnc12
InChIInChI=1S/C9H12N4O2S/c1-2-6-16(14,15)12-8-4-3-5-13-9(8)10-7-11-13/h3-5,7,12H,2,6H2,1H3
InChIKeyXVMQDDXFVHOBIN-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.88
Rot. Bonds4

About N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propane-1-sulfonamide

N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propane-1-sulfonamide (PubChem CID 53190717) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propane-1-sulfonamide
PubChem CID53190717
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC NameN-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccn2ncnc12
InChIInChI=1S/C9H12N4O2S/c1-2-6-16(14,15)12-8-4-3-5-13-9(8)10-7-11-13/h3-5,7,12H,2,6H2,1H3
InChIKeyXVMQDDXFVHOBIN-UHFFFAOYSA-N
XLogP0.88
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propane-1-sulfonamide?
The IUPAC name of N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propane-1-sulfonamide (CID 53190717) is N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propane-1-sulfonamide.
What is the SMILES notation for N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propane-1-sulfonamide?
The canonical SMILES for N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccn2ncnc12.
What is the InChIKey of N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propane-1-sulfonamide?
The InChIKey is XVMQDDXFVHOBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-2-6-16(14,15)12-8-4-3-5-13-9(8)10-7-11-13/h3-5,7,12H,2,6H2,1H3.
What are the key properties of N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propane-1-sulfonamide?
N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propane-1-sulfonamide has a molecular weight of 240.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propane-1-sulfonamide is sourced from PubChem (CID 53190717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).