2-(5-methyl-1,2,4-triazol-1-yl)acetamide

C5H8N4O — CID 139386076

IUPAC2-(5-methyl-1,2,4-triazol-1-yl)acetamide
SMILESCc1ncnn1CC(N)=O
InChIInChI=1S/C5H8N4O/c1-4-7-3-8-9(4)2-5(6)10/h3H,2H2,1H3,(H2,6,10)
InChIKeyQDYCLHWXAGISSJ-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.93
Rot. Bonds2

About 2-(5-methyl-1,2,4-triazol-1-yl)acetamide

2-(5-methyl-1,2,4-triazol-1-yl)acetamide (PubChem CID 139386076) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-triazol-1-yl)acetamide
PubChem CID139386076
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name2-(5-methyl-1,2,4-triazol-1-yl)acetamide
SMILESCc1ncnn1CC(N)=O
InChIInChI=1S/C5H8N4O/c1-4-7-3-8-9(4)2-5(6)10/h3H,2H2,1H3,(H2,6,10)
InChIKeyQDYCLHWXAGISSJ-UHFFFAOYSA-N
XLogP-0.93
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-methyl-1,2,4-triazol-1-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 2-(5-methyl-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of 2-(5-methyl-1,2,4-triazol-1-yl)acetamide (CID 139386076) is 2-(5-methyl-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for 2-(5-methyl-1,2,4-triazol-1-yl)acetamide is Cc1ncnn1CC(N)=O.
What is the InChIKey of 2-(5-methyl-1,2,4-triazol-1-yl)acetamide?
The InChIKey is QDYCLHWXAGISSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-4-7-3-8-9(4)2-5(6)10/h3H,2H2,1H3,(H2,6,10).
What are the key properties of 2-(5-methyl-1,2,4-triazol-1-yl)acetamide?
2-(5-methyl-1,2,4-triazol-1-yl)acetamide has a molecular weight of 140.15 g/mol, XLogP of -0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 139386076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).