N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide

C11H16N4O2S — CID 64592335

IUPACN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C11H16N4O2S/c1-2-9-18(16,17)12-7-6-11-14-13-10-5-3-4-8-15(10)11/h3-5,8,12H,2,6-7,9H2,1H3
InChIKeyVQQQBYIPNXREMG-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.60
Rot. Bonds6

About N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide

N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide (PubChem CID 64592335) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide
PubChem CID64592335
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C11H16N4O2S/c1-2-9-18(16,17)12-7-6-11-14-13-10-5-3-4-8-15(10)11/h3-5,8,12H,2,6-7,9H2,1H3
InChIKeyVQQQBYIPNXREMG-UHFFFAOYSA-N
XLogP0.60
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide
CID 91947514
2-(aminomethyl)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 115432348
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]butanoic acid
CID 115352247
4-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
CID 28656471
4-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
CID 28656296
3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid
CID 23474295
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
CID 43203669
2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 24535728
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 64587074
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826

Frequently Asked Questions

What is the IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide (CID 64592335) is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1nnc2ccccn12.
What is the InChIKey of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide?
The InChIKey is VQQQBYIPNXREMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-2-9-18(16,17)12-7-6-11-14-13-10-5-3-4-8-15(10)11/h3-5,8,12H,2,6-7,9H2,1H3.
What are the key properties of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide?
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide has a molecular weight of 268.34 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 64592335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).