2-(4-amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C6H11N5O2 — CID 13435526

IUPAC2-(4-amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCCc1nn(CC(N)=O)c(=O)n1N
InChIInChI=1S/C6H11N5O2/c1-2-5-9-10(3-4(7)12)6(13)11(5)8/h2-3,8H2,1H3,(H2,7,12)
InChIKeyUWWDFILRIAMZNT-UHFFFAOYSA-N
MW185.19 g/mol
LogP-2.19
Rot. Bonds3

About 2-(4-amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetamide

2-(4-amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 13435526) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-(4-amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID13435526
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name2-(4-amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCCc1nn(CC(N)=O)c(=O)n1N
InChIInChI=1S/C6H11N5O2/c1-2-5-9-10(3-4(7)12)6(13)11(5)8/h2-3,8H2,1H3,(H2,7,12)
InChIKeyUWWDFILRIAMZNT-UHFFFAOYSA-N
XLogP-2.19
TPSA108.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-2.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of 2-(4-amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 13435526) is 2-(4-amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for 2-(4-amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for 2-(4-amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetamide is CCc1nn(CC(N)=O)c(=O)n1N.
What is the InChIKey of 2-(4-amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is UWWDFILRIAMZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-2-5-9-10(3-4(7)12)6(13)11(5)8/h2-3,8H2,1H3,(H2,7,12).
What are the key properties of 2-(4-amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
2-(4-amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 185.19 g/mol, XLogP of -2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 13435526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).