5-(diethylsulfamoylamino)-1H-1,2,4-triazole

C6H13N5O2S — CID 62946483

IUPAC5-(diethylsulfamoylamino)-1H-1,2,4-triazole
SMILESCCN(CC)S(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H13N5O2S/c1-3-11(4-2)14(12,13)10-6-7-5-8-9-6/h5H,3-4H2,1-2H3,(H2,7,8,9,10)
InChIKeyAREXZGTZDFMRTR-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.20
Rot. Bonds5

About 5-(diethylsulfamoylamino)-1H-1,2,4-triazole

5-(diethylsulfamoylamino)-1H-1,2,4-triazole (PubChem CID 62946483) has the molecular formula C6H13N5O2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 5-(diethylsulfamoylamino)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(diethylsulfamoylamino)-1H-1,2,4-triazole
PubChem CID62946483
Molecular FormulaC6H13N5O2S
Molecular Weight219.27 g/mol
Exact Mass219.08
IUPAC Name5-(diethylsulfamoylamino)-1H-1,2,4-triazole
SMILESCCN(CC)S(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H13N5O2S/c1-3-11(4-2)14(12,13)10-6-7-5-8-9-6/h5H,3-4H2,1-2H3,(H2,7,8,9,10)
InChIKeyAREXZGTZDFMRTR-UHFFFAOYSA-N
XLogP-0.20
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoylamino)-1H-1,2,4-triazole?
The IUPAC name of 5-(diethylsulfamoylamino)-1H-1,2,4-triazole (CID 62946483) is 5-(diethylsulfamoylamino)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(diethylsulfamoylamino)-1H-1,2,4-triazole?
The canonical SMILES for 5-(diethylsulfamoylamino)-1H-1,2,4-triazole is CCN(CC)S(=O)(=O)Nc1ncn[nH]1.
What is the InChIKey of 5-(diethylsulfamoylamino)-1H-1,2,4-triazole?
The InChIKey is AREXZGTZDFMRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O2S/c1-3-11(4-2)14(12,13)10-6-7-5-8-9-6/h5H,3-4H2,1-2H3,(H2,7,8,9,10).
What are the key properties of 5-(diethylsulfamoylamino)-1H-1,2,4-triazole?
5-(diethylsulfamoylamino)-1H-1,2,4-triazole has a molecular weight of 219.27 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoylamino)-1H-1,2,4-triazole is sourced from PubChem (CID 62946483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).