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Triazolone
Also known as:
Molecular Formula
C2HN3O
Molecular Weight
83.05  g/mol
InChI Key
FFSJPOPLSWBGQY-UHFFFAOYSA-N

1 2D Structure

Triazolone

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 Weight 83.05 g/mol
Molecular Formula C2HN3O
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass83.011961664 g/mol
Monoisotopic Mass83.011961664 g/mol
Topological Polar Surface Area54.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity125
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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