N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C10H17N5O3S — CID 154822643

IUPACN-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)C1CCc2ncnn2C1
InChIInChI=1S/C10H17N5O3S/c1-11-19(17,18)5-4-12-10(16)8-2-3-9-13-7-14-15(9)6-8/h7-8,11H,2-6H2,1H3,(H,12,16)
InChIKeyXXILJGYDXXQGBP-UHFFFAOYSA-N
MW287.35 g/mol
LogP-1.49
Rot. Bonds5

About N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 154822643) has the molecular formula C10H17N5O3S and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID154822643
Molecular FormulaC10H17N5O3S
Molecular Weight287.35 g/mol
Exact Mass287.11
IUPAC NameN-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)C1CCc2ncnn2C1
InChIInChI=1S/C10H17N5O3S/c1-11-19(17,18)5-4-12-10(16)8-2-3-9-13-7-14-15(9)6-8/h7-8,11H,2-6H2,1H3,(H,12,16)
InChIKeyXXILJGYDXXQGBP-UHFFFAOYSA-N
XLogP-1.49
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 154822643) is N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is CNS(=O)(=O)CCNC(=O)C1CCc2ncnn2C1.
What is the InChIKey of N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is XXILJGYDXXQGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-11-19(17,18)5-4-12-10(16)8-2-3-9-13-7-14-15(9)6-8/h7-8,11H,2-6H2,1H3,(H,12,16).
What are the key properties of N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 287.35 g/mol, XLogP of -1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 154822643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).