N'-(1H-1,2,4-triazol-5-ylsulfamoyl)ethane-1,2-diamine

C4H10N6O2S — CID 84761042

IUPACN'-(1H-1,2,4-triazol-5-ylsulfamoyl)ethane-1,2-diamine
SMILESNCCNS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C4H10N6O2S/c5-1-2-8-13(11,12)10-4-6-3-7-9-4/h3,8H,1-2,5H2,(H2,6,7,9,10)
InChIKeyQARIXPQRGRKXQM-UHFFFAOYSA-N
MW206.23 g/mol
LogP-1.99
Rot. Bonds5

About N'-(1H-1,2,4-triazol-5-ylsulfamoyl)ethane-1,2-diamine

N'-(1H-1,2,4-triazol-5-ylsulfamoyl)ethane-1,2-diamine (PubChem CID 84761042) has the molecular formula C4H10N6O2S and a molecular weight of 206.23 g/mol. Its IUPAC name is N'-(1H-1,2,4-triazol-5-ylsulfamoyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1H-1,2,4-triazol-5-ylsulfamoyl)ethane-1,2-diamine
PubChem CID84761042
Molecular FormulaC4H10N6O2S
Molecular Weight206.23 g/mol
Exact Mass206.06
IUPAC NameN'-(1H-1,2,4-triazol-5-ylsulfamoyl)ethane-1,2-diamine
SMILESNCCNS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C4H10N6O2S/c5-1-2-8-13(11,12)10-4-6-3-7-9-4/h3,8H,1-2,5H2,(H2,6,7,9,10)
InChIKeyQARIXPQRGRKXQM-UHFFFAOYSA-N
XLogP-1.99
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(1H-1,2,4-triazol-5-ylsulfamoyl)ethane-1,2-diamine?
The IUPAC name of N'-(1H-1,2,4-triazol-5-ylsulfamoyl)ethane-1,2-diamine (CID 84761042) is N'-(1H-1,2,4-triazol-5-ylsulfamoyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1H-1,2,4-triazol-5-ylsulfamoyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1H-1,2,4-triazol-5-ylsulfamoyl)ethane-1,2-diamine is NCCNS(=O)(=O)Nc1ncn[nH]1.
What is the InChIKey of N'-(1H-1,2,4-triazol-5-ylsulfamoyl)ethane-1,2-diamine?
The InChIKey is QARIXPQRGRKXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N6O2S/c5-1-2-8-13(11,12)10-4-6-3-7-9-4/h3,8H,1-2,5H2,(H2,6,7,9,10).
What are the key properties of N'-(1H-1,2,4-triazol-5-ylsulfamoyl)ethane-1,2-diamine?
N'-(1H-1,2,4-triazol-5-ylsulfamoyl)ethane-1,2-diamine has a molecular weight of 206.23 g/mol, XLogP of -1.99, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-1,2,4-triazol-5-ylsulfamoyl)ethane-1,2-diamine is sourced from PubChem (CID 84761042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).