7-Bromopyrrolo[2,1-f][1,2,4]triazin-4-amine

C₆H₅BrN₄CAS 937046-98-5213.04 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₅BrN₄
Molar mass: 213.04 g/mol
Exact mass: 211.9698 Da
logP: 1.07Crippen estimate
Polar surface area: 56.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

937046-98-5

SMILES

Nc1ncnn2c(Br)ccc12

InChIKey

YGCJBESZJIGDMP-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrN4/c7-5-2-1-4-6(8)9-3-10-11(4)5/h1-3H,(H2,8,9,10)

Weigh it out

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

Names and synonyms

2 names

Pyrrolo[2,1-f][1,2,4]triazin-4-amine, 7-bromo-
7-Bromopyrrolo[2,1-f]-[1,2,4]triazin-4-amine

Work with 7-Bromopyrrolo[2,1-f][1,2,4]triazin-4-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

7-Iodopyrrolo[2,1-f][1,2,4]triazin-4-amine1770840-43-159 % similar 4-Amino-7-bromoimidazo[2,1-F][1,2,4]triazine1235374-44-354 % similar 5-Bromo-(1,2,4)triazolo(1,5-a)pyridine143329-58-246 % similar Pyrrolo[2,1-f][1,2,4]triazin-4-amine159326-68-844 % similar Gs-4415241191237-69-034 % similar 5,6-Dichloropyrimidin-4-amine310400-38-533 % similar Remdesivir N-21191237-80-532 % similar 6-Chloro-5-methylpyrimidin-4-amine14394-56-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-[1,2,4]triazolo[1,5-A]pyridin-2-ylamine1010120-55-4 8-Bromo-[1,2,4]triazolo[1,5-A]pyridin-2-ylamine1124382-72-4 5-Bromo-1H-pyrazolo[3,4-b]pyridin-3-amine405224-24-0 6-Bromo-[1,2,4]triazolo[1,5-A]pyridin-2-ylamine947248-68-2

Elsewhere

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