2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

C6H8F3N5OS — CID 7977613

IUPAC2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNn1cnnc1SCC(=O)NCC(F)(F)F
InChIInChI=1S/C6H8F3N5OS/c7-6(8,9)2-11-4(15)1-16-5-13-12-3-14(5)10/h3H,1-2,10H2,(H,11,15)
InChIKeyUWGGRHHWRFIFON-UHFFFAOYSA-N
MW255.22 g/mol
LogP-0.24
Rot. Bonds4

About 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 7977613) has the molecular formula C6H8F3N5OS and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID7977613
Molecular FormulaC6H8F3N5OS
Molecular Weight255.22 g/mol
Exact Mass255.04
IUPAC Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNn1cnnc1SCC(=O)NCC(F)(F)F
InChIInChI=1S/C6H8F3N5OS/c7-6(8,9)2-11-4(15)1-16-5-13-12-3-14(5)10/h3H,1-2,10H2,(H,11,15)
InChIKeyUWGGRHHWRFIFON-UHFFFAOYSA-N
XLogP-0.24
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 7977613) is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is Nn1cnnc1SCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UWGGRHHWRFIFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N5OS/c7-6(8,9)2-11-4(15)1-16-5-13-12-3-14(5)10/h3H,1-2,10H2,(H,11,15).
What are the key properties of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 255.22 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 7977613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).