3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one

C4H7N3O2 — CID 136968138

IUPAC3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CCO)[nH]1
InChIInChI=1S/C4H7N3O2/c8-2-1-3-5-4(9)7-6-3/h8H,1-2H2,(H2,5,6,7,9)
InChIKeyMTCNJKTUYNQQRJ-UHFFFAOYSA-N
MW129.12 g/mol
LogP-1.37
Rot. Bonds2

About 3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one

3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136968138) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136968138
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CCO)[nH]1
InChIInChI=1S/C4H7N3O2/c8-2-1-3-5-4(9)7-6-3/h8H,1-2H2,(H2,5,6,7,9)
InChIKeyMTCNJKTUYNQQRJ-UHFFFAOYSA-N
XLogP-1.37
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-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 3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 136968138) is 3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(CCO)[nH]1.
What is the InChIKey of 3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is MTCNJKTUYNQQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c8-2-1-3-5-4(9)7-6-3/h8H,1-2H2,(H2,5,6,7,9).
What are the key properties of 3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 129.12 g/mol, XLogP of -1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136968138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).