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

C11H19N5O5S — CID 163334455

IUPACformic acid;N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)C1CCc2ncnn2C1.O=CO
InChIInChI=1S/C10H17N5O3S.CH2O2/c1-11-19(17,18)5-4-12-10(16)8-2-3-9-13-7-14-15(9)6-8;2-1-3/h7-8,11H,2-6H2,1H3,(H,12,16);1H,(H,2,3)
InChIKeyORKXBGAOYMYZNA-UHFFFAOYSA-N
MW333.37 g/mol
LogP-1.79
Rot. Bonds5

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

formic acid;N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 163334455) has the molecular formula C11H19N5O5S and a molecular weight of 333.37 g/mol. Its IUPAC name is formic acid;N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID163334455
Molecular FormulaC11H19N5O5S
Molecular Weight333.37 g/mol
Exact Mass333.11
IUPAC Nameformic acid;N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)C1CCc2ncnn2C1.O=CO
InChIInChI=1S/C10H17N5O3S.CH2O2/c1-11-19(17,18)5-4-12-10(16)8-2-3-9-13-7-14-15(9)6-8;2-1-3/h7-8,11H,2-6H2,1H3,(H,12,16);1H,(H,2,3)
InChIKeyORKXBGAOYMYZNA-UHFFFAOYSA-N
XLogP-1.79
TPSA143.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of formic acid;N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 163334455) is formic acid;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 formic acid;N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for formic acid;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.O=CO.
What is the InChIKey of formic acid;N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is ORKXBGAOYMYZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S.CH2O2/c1-11-19(17,18)5-4-12-10(16)8-2-3-9-13-7-14-15(9)6-8;2-1-3/h7-8,11H,2-6H2,1H3,(H,12,16);1H,(H,2,3).
What are the key properties of formic acid;N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
formic acid;N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 333.37 g/mol, XLogP of -1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 163334455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).