3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

C18H23N5O2S — CID 121260872

IUPAC3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nnc(N(C)Cc3ccccc3)n2c1
InChIInChI=1S/C18H23N5O2S/c1-4-22(5-2)26(24,25)16-11-12-17-19-20-18(23(17)14-16)21(3)13-15-9-7-6-8-10-15/h6-12,14H,4-5,13H2,1-3H3
InChIKeyQOMFIIUEBIARDR-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.40
Rot. Bonds7

About 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (PubChem CID 121260872) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
PubChem CID121260872
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nnc(N(C)Cc3ccccc3)n2c1
InChIInChI=1S/C18H23N5O2S/c1-4-22(5-2)26(24,25)16-11-12-17-19-20-18(23(17)14-16)21(3)13-15-9-7-6-8-10-15/h6-12,14H,4-5,13H2,1-3H3
InChIKeyQOMFIIUEBIARDR-UHFFFAOYSA-N
XLogP2.40
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(diethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 24572680
2-[[benzyl(2,2,2-trifluoroethyl)amino]methyl]-N,N-diethyl-3-sulfanylidene-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 24605113
N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 121260916
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N,N-diethyl-3-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 121260907
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide
CID 55344716
3-[(1R)-1-cyanoethyl]sulfanyl-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 40810966
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
3-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 24630196
N-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide
CID 62144424
2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide
CID 75468154

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The IUPAC name of 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (CID 121260872) is 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The canonical SMILES for 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2nnc(N(C)Cc3ccccc3)n2c1.
What is the InChIKey of 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The InChIKey is QOMFIIUEBIARDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-4-22(5-2)26(24,25)16-11-12-17-19-20-18(23(17)14-16)21(3)13-15-9-7-6-8-10-15/h6-12,14H,4-5,13H2,1-3H3.
What are the key properties of 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is sourced from PubChem (CID 121260872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).