2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide

C8H9N5OS — CID 66352507

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide
SMILESNc1ncn(CC(=O)Nc2ccsc2)n1
InChIInChI=1S/C8H9N5OS/c9-8-10-5-13(12-8)3-7(14)11-6-1-2-15-4-6/h1-2,4-5H,3H2,(H2,9,12)(H,11,14)
InChIKeyBYIGJVGQVCPBIT-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.56
Rot. Bonds3

About 2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide (PubChem CID 66352507) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide
PubChem CID66352507
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide
SMILESNc1ncn(CC(=O)Nc2ccsc2)n1
InChIInChI=1S/C8H9N5OS/c9-8-10-5-13(12-8)3-7(14)11-6-1-2-15-4-6/h1-2,4-5H,3H2,(H2,9,12)(H,11,14)
InChIKeyBYIGJVGQVCPBIT-UHFFFAOYSA-N
XLogP0.56
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide (CID 66352507) is 2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide is Nc1ncn(CC(=O)Nc2ccsc2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide?
The InChIKey is BYIGJVGQVCPBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c9-8-10-5-13(12-8)3-7(14)11-6-1-2-15-4-6/h1-2,4-5H,3H2,(H2,9,12)(H,11,14).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide has a molecular weight of 223.26 g/mol, XLogP of 0.56, 3 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-thiophen-3-ylacetamide is sourced from PubChem (CID 66352507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).