2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

C7H10F3N5OS — CID 106425302

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESNc1ncn(CC(=O)NCCSC(F)(F)F)n1
InChIInChI=1S/C7H10F3N5OS/c8-7(9,10)17-2-1-12-5(16)3-15-4-13-6(11)14-15/h4H,1-3H2,(H2,11,14)(H,12,16)
InChIKeyKZRYATNMDSMYBH-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.23
Rot. Bonds5

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

2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (PubChem CID 106425302) has the molecular formula C7H10F3N5OS and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
PubChem CID106425302
Molecular FormulaC7H10F3N5OS
Molecular Weight269.25 g/mol
Exact Mass269.06
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESNc1ncn(CC(=O)NCCSC(F)(F)F)n1
InChIInChI=1S/C7H10F3N5OS/c8-7(9,10)17-2-1-12-5(16)3-15-4-13-6(11)14-15/h4H,1-3H2,(H2,11,14)(H,12,16)
InChIKeyKZRYATNMDSMYBH-UHFFFAOYSA-N
XLogP0.23
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
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2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83107218
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide
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N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide
CID 106233336
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61241529
2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide
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2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106324469
2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide
CID 66177776
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 106242189
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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (CID 106425302) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is Nc1ncn(CC(=O)NCCSC(F)(F)F)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The InChIKey is KZRYATNMDSMYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5OS/c8-7(9,10)17-2-1-12-5(16)3-15-4-13-6(11)14-15/h4H,1-3H2,(H2,11,14)(H,12,16).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide has a molecular weight of 269.25 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 106425302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).