2H-1,2,4-Triazole-3-carboxamide

C₃H₄N₄OCAS 3641-08-5112.09 g/mol

Open in Covalent MOL file

Amide

Properties

Molecular formula: C₃H₄N₄O
Molar mass: 112.09 g/mol
Exact mass: 112.0385 Da
logP: -1.10Crippen estimate
Polar surface area: 84.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3641-08-5

SMILES

C1=NNC(=N1)C(=O)N

InChIKey

ZEWJFUNFEABPGL-UHFFFAOYSA-N

InChI

InChI=1S/C3H4N4O/c4-2(8)3-5-1-6-7-3/h1H,(H2,4,8)(H,5,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1,2,4-Triazole-3-carboxamide

Work with 2H-1,2,4-Triazole-3-carboxamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Terephthalamide3010-82-038 % similar 5-Hydroxy-1H-imidazole-4-carboxamide56973-26-337 % similar Isonicotinamide1453-82-337 % similar 3-Hydroxypyrazine-2-carboxamide55321-99-836 % similar 4-Cyano-1H-imidazole-5-carboxamide5372-23-635 % similar 3-Bromo-1H-1,2,4-triazole7343-33-134 % similar 2-Aminoisonicotinamide13538-42-634 % similar 5-Aminopyridine-2-carboxamide145255-19-234 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Amino-1,3,5-triazin-2(1H)-one931-86-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook