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3641-08-5

3641-08-5 structural image
Product Name: 2H-1,2,4-Triazole-3-carboxamide
Formula: C3H4N4O
Synonyms: 1H-1,2,4-Triazole-3-carboxamide
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H332:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 112.09 g/mol
XLogP3 -0.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 112.03851076 g/mol
Monoisotopic Mass 112.03851076 g/mol
Topological Polar Surface Area 84.7 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 104
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
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1,2,4-triazole-3-carboxamide is a member of the class of triazoles that is 1H-1,2,4-triazole substituted by an aminocarbonyl group at position 3. It is the major catabolite and aglycon of ribavirin. It has a role as a human urinary metabolite and a drug metabolite. It is a member of triazoles, a primary carboxamide, a monocarboxylic acid amide and an aromatic amide.