2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-diethylacetamide

C14H21N5O3S2 — CID 75468155

IUPAC2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc2ccc(S(=O)(=O)N(C)C)cn12
InChIInChI=1S/C14H21N5O3S2/c1-5-18(6-2)13(20)10-23-14-16-15-12-8-7-11(9-19(12)14)24(21,22)17(3)4/h7-9H,5-6,10H2,1-4H3
InChIKeyVTRCEFPOZJALAD-UHFFFAOYSA-N
MW371.49 g/mol
LogP0.94
Rot. Bonds7

About 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-diethylacetamide

2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-diethylacetamide (PubChem CID 75468155) has the molecular formula C14H21N5O3S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-diethylacetamide
PubChem CID75468155
Molecular FormulaC14H21N5O3S2
Molecular Weight371.49 g/mol
Exact Mass371.11
IUPAC Name2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc2ccc(S(=O)(=O)N(C)C)cn12
InChIInChI=1S/C14H21N5O3S2/c1-5-18(6-2)13(20)10-23-14-16-15-12-8-7-11(9-19(12)14)24(21,22)17(3)4/h7-9H,5-6,10H2,1-4H3
InChIKeyVTRCEFPOZJALAD-UHFFFAOYSA-N
XLogP0.94
TPSA87.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-diethylacetamide (CID 75468155) is 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nnc2ccc(S(=O)(=O)N(C)C)cn12.
What is the InChIKey of 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-diethylacetamide?
The InChIKey is VTRCEFPOZJALAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S2/c1-5-18(6-2)13(20)10-23-14-16-15-12-8-7-11(9-19(12)14)24(21,22)17(3)4/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-diethylacetamide?
2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-diethylacetamide has a molecular weight of 371.49 g/mol, XLogP of 0.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 75468155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).