2-(3-methylsulfanyl-1,2,4-triazol-4-yl)acetamide

C5H8N4OS — CID 67827880

IUPAC2-(3-methylsulfanyl-1,2,4-triazol-4-yl)acetamide
SMILESCSc1nncn1CC(N)=O
InChIInChI=1S/C5H8N4OS/c1-11-5-8-7-3-9(5)2-4(6)10/h3H,2H2,1H3,(H2,6,10)
InChIKeyQKNRWBGFDRIVFV-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.51
Rot. Bonds3

About 2-(3-methylsulfanyl-1,2,4-triazol-4-yl)acetamide

2-(3-methylsulfanyl-1,2,4-triazol-4-yl)acetamide (PubChem CID 67827880) has the molecular formula C5H8N4OS and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-(3-methylsulfanyl-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylsulfanyl-1,2,4-triazol-4-yl)acetamide
PubChem CID67827880
Molecular FormulaC5H8N4OS
Molecular Weight172.21 g/mol
Exact Mass172.04
IUPAC Name2-(3-methylsulfanyl-1,2,4-triazol-4-yl)acetamide
SMILESCSc1nncn1CC(N)=O
InChIInChI=1S/C5H8N4OS/c1-11-5-8-7-3-9(5)2-4(6)10/h3H,2H2,1H3,(H2,6,10)
InChIKeyQKNRWBGFDRIVFV-UHFFFAOYSA-N
XLogP-0.51
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanyl-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-(3-methylsulfanyl-1,2,4-triazol-4-yl)acetamide (CID 67827880) is 2-(3-methylsulfanyl-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-methylsulfanyl-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-(3-methylsulfanyl-1,2,4-triazol-4-yl)acetamide is CSc1nncn1CC(N)=O.
What is the InChIKey of 2-(3-methylsulfanyl-1,2,4-triazol-4-yl)acetamide?
The InChIKey is QKNRWBGFDRIVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4OS/c1-11-5-8-7-3-9(5)2-4(6)10/h3H,2H2,1H3,(H2,6,10).
What are the key properties of 2-(3-methylsulfanyl-1,2,4-triazol-4-yl)acetamide?
2-(3-methylsulfanyl-1,2,4-triazol-4-yl)acetamide has a molecular weight of 172.21 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanyl-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 67827880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).