1-methyl-5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,4-triazole

C9H19N5O2S — CID 131929499

IUPAC1-methyl-5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,4-triazole
SMILESCC(NS(=O)(=O)N(C)C(C)C)c1ncnn1C
InChIInChI=1S/C9H19N5O2S/c1-7(2)14(5)17(15,16)12-8(3)9-10-6-11-13(9)4/h6-8,12H,1-5H3
InChIKeyZGBLVNRHMNJAFF-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.05
Rot. Bonds5

About 1-methyl-5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,4-triazole

1-methyl-5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,4-triazole (PubChem CID 131929499) has the molecular formula C9H19N5O2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-methyl-5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,4-triazole
PubChem CID131929499
Molecular FormulaC9H19N5O2S
Molecular Weight261.35 g/mol
Exact Mass261.13
IUPAC Name1-methyl-5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,4-triazole
SMILESCC(NS(=O)(=O)N(C)C(C)C)c1ncnn1C
InChIInChI=1S/C9H19N5O2S/c1-7(2)14(5)17(15,16)12-8(3)9-10-6-11-13(9)4/h6-8,12H,1-5H3
InChIKeyZGBLVNRHMNJAFF-UHFFFAOYSA-N
XLogP0.05
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,4-triazole?
The IUPAC name of 1-methyl-5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,4-triazole (CID 131929499) is 1-methyl-5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-methyl-5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,4-triazole?
The canonical SMILES for 1-methyl-5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,4-triazole is CC(NS(=O)(=O)N(C)C(C)C)c1ncnn1C.
What is the InChIKey of 1-methyl-5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,4-triazole?
The InChIKey is ZGBLVNRHMNJAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2S/c1-7(2)14(5)17(15,16)12-8(3)9-10-6-11-13(9)4/h6-8,12H,1-5H3.
What are the key properties of 1-methyl-5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,4-triazole?
1-methyl-5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,4-triazole has a molecular weight of 261.35 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,4-triazole is sourced from PubChem (CID 131929499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).