4-amino-2-ethyl-1,2,4-triazol-3-one

C4H8N4O — CID 119031762

IUPAC4-amino-2-ethyl-1,2,4-triazol-3-one
SMILESCCn1ncn(N)c1=O
InChIInChI=1S/C4H8N4O/c1-2-8-4(9)7(5)3-6-8/h3H,2,5H2,1H3
InChIKeyQPBCGWKNLXUFTF-UHFFFAOYSA-N
MW128.13 g/mol
LogP-1.22
Rot. Bonds1

About 4-amino-2-ethyl-1,2,4-triazol-3-one

4-amino-2-ethyl-1,2,4-triazol-3-one (PubChem CID 119031762) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 4-amino-2-ethyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-amino-2-ethyl-1,2,4-triazol-3-one
PubChem CID119031762
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name4-amino-2-ethyl-1,2,4-triazol-3-one
SMILESCCn1ncn(N)c1=O
InChIInChI=1S/C4H8N4O/c1-2-8-4(9)7(5)3-6-8/h3H,2,5H2,1H3
InChIKeyQPBCGWKNLXUFTF-UHFFFAOYSA-N
XLogP-1.22
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-ethyl-1,2,4-triazol-3-one 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 4-amino-2-ethyl-1,2,4-triazol-3-one?
The IUPAC name of 4-amino-2-ethyl-1,2,4-triazol-3-one (CID 119031762) is 4-amino-2-ethyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-amino-2-ethyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-amino-2-ethyl-1,2,4-triazol-3-one is CCn1ncn(N)c1=O.
What is the InChIKey of 4-amino-2-ethyl-1,2,4-triazol-3-one?
The InChIKey is QPBCGWKNLXUFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-2-8-4(9)7(5)3-6-8/h3H,2,5H2,1H3.
What are the key properties of 4-amino-2-ethyl-1,2,4-triazol-3-one?
4-amino-2-ethyl-1,2,4-triazol-3-one has a molecular weight of 128.13 g/mol, XLogP of -1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-1,2,4-triazol-3-one is sourced from PubChem (CID 119031762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).