N,N-diethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C8H14N4OS — CID 711682

IUPACN,N-diethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCCN(CC)C(=O)CSc1ncn[nH]1
InChIInChI=1S/C8H14N4OS/c1-3-12(4-2)7(13)5-14-8-9-6-10-11-8/h6H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyZYFJIUIAFQHZDE-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.77
Rot. Bonds5

About N,N-diethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N,N-diethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 711682) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N,N-diethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID711682
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN,N-diethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCCN(CC)C(=O)CSc1ncn[nH]1
InChIInChI=1S/C8H14N4OS/c1-3-12(4-2)7(13)5-14-8-9-6-10-11-8/h6H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyZYFJIUIAFQHZDE-UHFFFAOYSA-N
XLogP0.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N,N-diethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 711682) is N,N-diethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N,N-diethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is CCN(CC)C(=O)CSc1ncn[nH]1.
What is the InChIKey of N,N-diethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is ZYFJIUIAFQHZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-3-12(4-2)7(13)5-14-8-9-6-10-11-8/h6H,3-5H2,1-2H3,(H,9,10,11).
What are the key properties of N,N-diethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N,N-diethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 214.29 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 711682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).