2-(4-acetamidotriazol-2-yl)-N-ethylacetamide

C8H13N5O2 — CID 112519987

IUPAC2-(4-acetamidotriazol-2-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1ncc(NC(C)=O)n1
InChIInChI=1S/C8H13N5O2/c1-3-9-8(15)5-13-10-4-7(12-13)11-6(2)14/h4H,3,5H2,1-2H3,(H,9,15)(H,11,12,14)
InChIKeyQJESCKQZHVGKNH-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.63
Rot. Bonds4

About 2-(4-acetamidotriazol-2-yl)-N-ethylacetamide

2-(4-acetamidotriazol-2-yl)-N-ethylacetamide (PubChem CID 112519987) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(4-acetamidotriazol-2-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-acetamidotriazol-2-yl)-N-ethylacetamide
PubChem CID112519987
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name2-(4-acetamidotriazol-2-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1ncc(NC(C)=O)n1
InChIInChI=1S/C8H13N5O2/c1-3-9-8(15)5-13-10-4-7(12-13)11-6(2)14/h4H,3,5H2,1-2H3,(H,9,15)(H,11,12,14)
InChIKeyQJESCKQZHVGKNH-UHFFFAOYSA-N
XLogP-0.63
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-acetamidotriazol-2-yl)-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidotriazol-2-yl)-N-ethylacetamide?
The IUPAC name of 2-(4-acetamidotriazol-2-yl)-N-ethylacetamide (CID 112519987) is 2-(4-acetamidotriazol-2-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(4-acetamidotriazol-2-yl)-N-ethylacetamide?
The canonical SMILES for 2-(4-acetamidotriazol-2-yl)-N-ethylacetamide is CCNC(=O)Cn1ncc(NC(C)=O)n1.
What is the InChIKey of 2-(4-acetamidotriazol-2-yl)-N-ethylacetamide?
The InChIKey is QJESCKQZHVGKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-3-9-8(15)5-13-10-4-7(12-13)11-6(2)14/h4H,3,5H2,1-2H3,(H,9,15)(H,11,12,14).
What are the key properties of 2-(4-acetamidotriazol-2-yl)-N-ethylacetamide?
2-(4-acetamidotriazol-2-yl)-N-ethylacetamide has a molecular weight of 211.22 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidotriazol-2-yl)-N-ethylacetamide is sourced from PubChem (CID 112519987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).