4-Amino-1,2,4-triazole

C₂H₄N₄CAS 584-13-484.08 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₂H₄N₄
Molar mass: 84.08 g/mol
Exact mass: 84.0436 Da
Melting point: 81 °C
logP: -1.01Crippen estimate
Polar surface area: 56.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed38% of notifiers
H315 Causes skin irritation57% of notifiers
H319 Causes serious eye irritation57% of notifiers
H335 May cause respiratory irritation56% of notifiers

Aggregated from 100 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

584-13-4

SMILES

Nn1cnnc1

InChIKey

FMCUPJKTGNBGEC-UHFFFAOYSA-N

InChI

InChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2

Weigh it out

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

Names and synonyms

12 names

4H-1,2,4-Triazol-4-amine
4H-1,2,4-Triazole, 4-amino-
4-Amino-1,2,4(4H)-triazole
4-Amino-4H-1,2,4-triazole
1-Amino-1H-1,3,4-triazole
1-Amino-1,3,4-triazole
1,2,4-Triazol-4-amine
1,2,4-Triazol-4-ylamine
1,2,4-Triazole-4-amine
NSC 3263
NSC 7242
A 1137

Reactions

4-AMINO-4H-1,2,4-TRIAZOLE (4H-1,2,4-Triazole, 4-amino-)product

Work with 4-Amino-1,2,4-triazole

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

1H-Pyrrol-1-amine765-39-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-1H-tetrazole16681-77-9 5-Methyl-2H-tetrazole4076-36-2 2-Cyanoguanidine461-58-5 3-Amino-1,2,4-triazole61-82-5

Elsewhere

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