N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide

C6H10N4O2 — CID 104817343

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCCOc1n[nH]c(NC(C)=O)n1
InChIInChI=1S/C6H10N4O2/c1-3-12-6-8-5(9-10-6)7-4(2)11/h3H2,1-2H3,(H2,7,8,9,10,11)
InChIKeyKOKVIKMCPOCRIA-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.16
Rot. Bonds3

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 104817343) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID104817343
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCCOc1n[nH]c(NC(C)=O)n1
InChIInChI=1S/C6H10N4O2/c1-3-12-6-8-5(9-10-6)7-4(2)11/h3H2,1-2H3,(H2,7,8,9,10,11)
InChIKeyKOKVIKMCPOCRIA-UHFFFAOYSA-N
XLogP0.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide 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 N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide (CID 104817343) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide is CCOc1n[nH]c(NC(C)=O)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is KOKVIKMCPOCRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-3-12-6-8-5(9-10-6)7-4(2)11/h3H2,1-2H3,(H2,7,8,9,10,11).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 170.17 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 104817343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).