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

C5H11N5O3S — CID 114810298

IUPAC3-ethoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCCOc1n[nH]c(NS(=O)(=O)NC)n1
InChIInChI=1S/C5H11N5O3S/c1-3-13-5-7-4(8-9-5)10-14(11,12)6-2/h6H,3H2,1-2H3,(H2,7,8,9,10)
InChIKeyICYZFGAZTQDPHH-UHFFFAOYSA-N
MW221.24 g/mol
LogP-0.92
Rot. Bonds5

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

3-ethoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine (PubChem CID 114810298) has the molecular formula C5H11N5O3S and a molecular weight of 221.24 g/mol. Its IUPAC name is 3-ethoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-ethoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine
PubChem CID114810298
Molecular FormulaC5H11N5O3S
Molecular Weight221.24 g/mol
Exact Mass221.06
IUPAC Name3-ethoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCCOc1n[nH]c(NS(=O)(=O)NC)n1
InChIInChI=1S/C5H11N5O3S/c1-3-13-5-7-4(8-9-5)10-14(11,12)6-2/h6H,3H2,1-2H3,(H2,7,8,9,10)
InChIKeyICYZFGAZTQDPHH-UHFFFAOYSA-N
XLogP-0.92
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-ethoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine (CID 114810298) is 3-ethoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-ethoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-ethoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine is CCOc1n[nH]c(NS(=O)(=O)NC)n1.
What is the InChIKey of 3-ethoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is ICYZFGAZTQDPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O3S/c1-3-13-5-7-4(8-9-5)10-14(11,12)6-2/h6H,3H2,1-2H3,(H2,7,8,9,10).
What are the key properties of 3-ethoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine?
3-ethoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 221.24 g/mol, XLogP of -0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 114810298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).