5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole

C6H13N5O3S — CID 104818673

IUPAC5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole
SMILESCCOc1n[nH]c(NS(=O)(=O)N(C)C)n1
InChIInChI=1S/C6H13N5O3S/c1-4-14-6-7-5(8-9-6)10-15(12,13)11(2)3/h4H2,1-3H3,(H2,7,8,9,10)
InChIKeyKRUNYMREPPHUEF-UHFFFAOYSA-N
MW235.27 g/mol
LogP-0.58
Rot. Bonds5

About 5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole

5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole (PubChem CID 104818673) has the molecular formula C6H13N5O3S and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole
PubChem CID104818673
Molecular FormulaC6H13N5O3S
Molecular Weight235.27 g/mol
Exact Mass235.07
IUPAC Name5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole
SMILESCCOc1n[nH]c(NS(=O)(=O)N(C)C)n1
InChIInChI=1S/C6H13N5O3S/c1-4-14-6-7-5(8-9-6)10-15(12,13)11(2)3/h4H2,1-3H3,(H2,7,8,9,10)
InChIKeyKRUNYMREPPHUEF-UHFFFAOYSA-N
XLogP-0.58
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole?
The IUPAC name of 5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole (CID 104818673) is 5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole.
What is the SMILES notation for 5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole?
The canonical SMILES for 5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole is CCOc1n[nH]c(NS(=O)(=O)N(C)C)n1.
What is the InChIKey of 5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole?
The InChIKey is KRUNYMREPPHUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O3S/c1-4-14-6-7-5(8-9-6)10-15(12,13)11(2)3/h4H2,1-3H3,(H2,7,8,9,10).
What are the key properties of 5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole?
5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole has a molecular weight of 235.27 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole is sourced from PubChem (CID 104818673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).