6-Bromo-1,2,4-triazin-3-amine

C₃H₃BrN₄CAS 69249-22-5174.99 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₃H₃BrN₄
Molar mass: 174.99 g/mol
Exact mass: 173.9541 Da
logP: 0.05Crippen estimate
Polar surface area: 65.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Hazards

Danger

H228 Flammable solid86.1% of notifiers
H301 Toxic if swallowed86.1% of notifiers
H315 Causes skin irritation11.1% of notifiers
H317 May cause an allergic skin reaction86.1% of notifiers
H319 Causes serious eye irritation11.1% of notifiers
H335 May cause respiratory irritation11.1% of notifiers

Aggregated from 36 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

69249-22-5

SMILES

N=c1nnc(Br)c[nH]1

InChIKey

WIBIPFPOGMLYJQ-UHFFFAOYSA-N

InChI

InChI=1S/C3H3BrN4/c4-2-1-6-3(5)8-7-2/h1H,(H2,5,6,8)

Weigh it out

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

Names and synonyms

2 names

1,2,4-Triazin-3-amine, 6-bromo-
3-Amino-6-bromo-1,2,4-triazine

Work with 6-Bromo-1,2,4-triazin-3-amine

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

2-Amino-5-bromopyrimidine7752-82-143 % similar 3-Amino-1,2,4-triazine1120-99-638 % similar 3,6-Dibromopyridazine17973-86-338 % similar 5-Iodo-2-pyrimidinamine1445-39-234 % similar 5-Bromo-2(1H)-pyrazinone374063-92-034 % similar 5-Chloro-2-pyrimidinamine5428-89-734 % similar 1,3,5-Triazin-2-amine4122-04-733 % similar 3,4,6-Tribromopyridazine55928-86-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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