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

C8H17N5O3S — CID 104818550

IUPAC5-(diethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole
SMILESCCOc1n[nH]c(NS(=O)(=O)N(CC)CC)n1
InChIInChI=1S/C8H17N5O3S/c1-4-13(5-2)17(14,15)12-7-9-8(11-10-7)16-6-3/h4-6H2,1-3H3,(H2,9,10,11,12)
InChIKeyKATGYKYSHVRQHV-UHFFFAOYSA-N
MW263.32 g/mol
LogP0.20
Rot. Bonds7

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

5-(diethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole (PubChem CID 104818550) has the molecular formula C8H17N5O3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-(diethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(diethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole
PubChem CID104818550
Molecular FormulaC8H17N5O3S
Molecular Weight263.32 g/mol
Exact Mass263.11
IUPAC Name5-(diethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole
SMILESCCOc1n[nH]c(NS(=O)(=O)N(CC)CC)n1
InChIInChI=1S/C8H17N5O3S/c1-4-13(5-2)17(14,15)12-7-9-8(11-10-7)16-6-3/h4-6H2,1-3H3,(H2,9,10,11,12)
InChIKeyKATGYKYSHVRQHV-UHFFFAOYSA-N
XLogP0.20
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole?
The IUPAC name of 5-(diethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole (CID 104818550) is 5-(diethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole.
What is the SMILES notation for 5-(diethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole?
The canonical SMILES for 5-(diethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole is CCOc1n[nH]c(NS(=O)(=O)N(CC)CC)n1.
What is the InChIKey of 5-(diethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole?
The InChIKey is KATGYKYSHVRQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O3S/c1-4-13(5-2)17(14,15)12-7-9-8(11-10-7)16-6-3/h4-6H2,1-3H3,(H2,9,10,11,12).
What are the key properties of 5-(diethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole?
5-(diethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole has a molecular weight of 263.32 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole is sourced from PubChem (CID 104818550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).