N-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide

C6H10N4O3S — CID 653191

IUPACN-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCCS(=O)(=O)c1nc(NC(C)=O)n[nH]1
InChIInChI=1S/C6H10N4O3S/c1-3-14(12,13)6-8-5(9-10-6)7-4(2)11/h3H2,1-2H3,(H2,7,8,9,10,11)
InChIKeyZAYCRFWTIAJLIF-UHFFFAOYSA-N
MW218.24 g/mol
LogP-0.44
Rot. Bonds3

About N-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide

N-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 653191) has the molecular formula C6H10N4O3S and a molecular weight of 218.24 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID653191
Molecular FormulaC6H10N4O3S
Molecular Weight218.24 g/mol
Exact Mass218.05
IUPAC NameN-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCCS(=O)(=O)c1nc(NC(C)=O)n[nH]1
InChIInChI=1S/C6H10N4O3S/c1-3-14(12,13)6-8-5(9-10-6)7-4(2)11/h3H2,1-2H3,(H2,7,8,9,10,11)
InChIKeyZAYCRFWTIAJLIF-UHFFFAOYSA-N
XLogP-0.44
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of N-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide (CID 653191) is N-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for N-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for N-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide is CCS(=O)(=O)c1nc(NC(C)=O)n[nH]1.
What is the InChIKey of N-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is ZAYCRFWTIAJLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3S/c1-3-14(12,13)6-8-5(9-10-6)7-4(2)11/h3H2,1-2H3,(H2,7,8,9,10,11).
What are the key properties of N-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide?
N-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 218.24 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 653191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).