1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

triazol-4-one

2.1.2 InChI

InChI=1S/C2HN3O/c6-2-1-3-5-4-2/h1H

2.1.3 InChI Key

FFSJPOPLSWBGQY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=NN=NC1=O

2.2 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₂HN₃O
Molecular Weight	83.05 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	83.011961664 g/mol
Monoisotopic Mass	83.011961664 g/mol
Topological Polar Surface Area	54.2 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	125
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Technical details about Triazolone, learn more about the structure, uses, toxicity, action, side effects and more

Triazolone