2-(1-aminoethyl)-4H-1,2,4-triazol-3-one

C4H8N4O — CID 152789783

IUPAC2-(1-aminoethyl)-4H-1,2,4-triazol-3-one
SMILESCC(N)n1nc[nH]c1=O
InChIInChI=1S/C4H8N4O/c1-3(5)8-4(9)6-2-7-8/h2-3H,5H2,1H3,(H,6,7,9)
InChIKeySFUZFYWVHHGOPO-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.95
Rot. Bonds1

About 2-(1-aminoethyl)-4H-1,2,4-triazol-3-one

2-(1-aminoethyl)-4H-1,2,4-triazol-3-one (PubChem CID 152789783) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-4H-1,2,4-triazol-3-one
PubChem CID152789783
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name2-(1-aminoethyl)-4H-1,2,4-triazol-3-one
SMILESCC(N)n1nc[nH]c1=O
InChIInChI=1S/C4H8N4O/c1-3(5)8-4(9)6-2-7-8/h2-3H,5H2,1H3,(H,6,7,9)
InChIKeySFUZFYWVHHGOPO-UHFFFAOYSA-N
XLogP-0.95
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-aminoethyl)-4H-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 2-(1-aminoethyl)-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-(1-aminoethyl)-4H-1,2,4-triazol-3-one (CID 152789783) is 2-(1-aminoethyl)-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-(1-aminoethyl)-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-(1-aminoethyl)-4H-1,2,4-triazol-3-one is CC(N)n1nc[nH]c1=O.
What is the InChIKey of 2-(1-aminoethyl)-4H-1,2,4-triazol-3-one?
The InChIKey is SFUZFYWVHHGOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-3(5)8-4(9)6-2-7-8/h2-3H,5H2,1H3,(H,6,7,9).
What are the key properties of 2-(1-aminoethyl)-4H-1,2,4-triazol-3-one?
2-(1-aminoethyl)-4H-1,2,4-triazol-3-one has a molecular weight of 128.13 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 152789783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).