3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine

C7H15N5O3S — CID 114810297

IUPAC3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCCOc1n[nH]c(NS(=O)(=O)NC(C)C)n1
InChIInChI=1S/C7H15N5O3S/c1-4-15-7-8-6(9-10-7)12-16(13,14)11-5(2)3/h5,11H,4H2,1-3H3,(H2,8,9,10,12)
InChIKeyUOFZIAQRGKFZJP-UHFFFAOYSA-N
MW249.30 g/mol
LogP-0.14
Rot. Bonds6

About 3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine

3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine (PubChem CID 114810297) has the molecular formula C7H15N5O3S and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine
PubChem CID114810297
Molecular FormulaC7H15N5O3S
Molecular Weight249.30 g/mol
Exact Mass249.09
IUPAC Name3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCCOc1n[nH]c(NS(=O)(=O)NC(C)C)n1
InChIInChI=1S/C7H15N5O3S/c1-4-15-7-8-6(9-10-7)12-16(13,14)11-5(2)3/h5,11H,4H2,1-3H3,(H2,8,9,10,12)
InChIKeyUOFZIAQRGKFZJP-UHFFFAOYSA-N
XLogP-0.14
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine 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 3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine (CID 114810297) is 3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine is CCOc1n[nH]c(NS(=O)(=O)NC(C)C)n1.
What is the InChIKey of 3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is UOFZIAQRGKFZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O3S/c1-4-15-7-8-6(9-10-7)12-16(13,14)11-5(2)3/h5,11H,4H2,1-3H3,(H2,8,9,10,12).
What are the key properties of 3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine?
3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 249.30 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 114810297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).