N-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide

C8H12N4O2S — CID 684787

IUPACN-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide
SMILESCCSc1nc(NC(C)=O)nn1C(C)=O
InChIInChI=1S/C8H12N4O2S/c1-4-15-8-10-7(9-5(2)13)11-12(8)6(3)14/h4H2,1-3H3,(H,9,11,13)
InChIKeyWEQDIZYNBIXIIA-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.01
Rot. Bonds3

About N-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide

N-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide (PubChem CID 684787) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is N-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide
PubChem CID684787
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC NameN-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide
SMILESCCSc1nc(NC(C)=O)nn1C(C)=O
InChIInChI=1S/C8H12N4O2S/c1-4-15-8-10-7(9-5(2)13)11-12(8)6(3)14/h4H2,1-3H3,(H,9,11,13)
InChIKeyWEQDIZYNBIXIIA-UHFFFAOYSA-N
XLogP1.01
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of N-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide (CID 684787) is N-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for N-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for N-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide is CCSc1nc(NC(C)=O)nn1C(C)=O.
What is the InChIKey of N-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is WEQDIZYNBIXIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-4-15-8-10-7(9-5(2)13)11-12(8)6(3)14/h4H2,1-3H3,(H,9,11,13).
What are the key properties of N-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide?
N-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 228.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 684787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).