4-Chloropyrrolo[1,2-F][1,2,4]triazine

C6H4ClN3CAS 888720-29-4153.57 g/mol

Open in Covalent MOL file
NNNCl
Aryl halide

Properties

Molecular formula
C6H4ClN3
Molar mass
153.57 g/mol
Exact mass
153.0094 Da
logP
1.38Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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
888720-29-4
SMILES
C1=CN2C(=C1)C(=NC=N2)Cl
InChIKey
ONTLBVKRDUFQFP-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClN3/c7-6-5-2-1-3-10(5)9-4-8-6/h1-4H

Weigh it out

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

Names and synonyms

1 names
  • 4-Chloropyrrolo(2,1-f)(1,2,4)triazine

Work with 4-Chloropyrrolo[1,2-F][1,2,4]triazine

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

Pyrrolo[2,1-f][1,2,4]triazin-4-amine159326-68-856 % similar 2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine918538-05-356 % similar 6-Bromo-4-chloropyrrolo[1,2-F][1,2,4]triazine916420-30-947 % similar 8-Bromo-[1,2,4]triazolo[1,5-A]pyridine868362-18-944 % similar Methyl 4-chloropyrrolo[1,2-F][1,2,4]triazine-6-carboxylate1005196-61-138 % similar 3-Bromo-pyrazolo[1,5-A]pyridine5910-12-336 % similar 4-Chloro-quinazoline5190-68-134 % similar 4,5,6-Trichloropyrimidine1780-27-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-5H-pyrrolo[3,2-D]pyrimidine1119280-66-8 6-Chloro-1H-pyrazolo(4,3-c)pyridine1206979-33-0 5-Chloropyrazolo(1,5-a)pyrimidine29274-24-6 4-Chloro-1H-pyrazolo[3,4-b]pyridine29274-28-0 2-Chloro-7H-pyrrolo[2,3-D]pyrimidine335654-06-3 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine3680-69-1 5-Chloro-3H-imidazo[4,5-B]pyridine52090-89-8 7-Chloropyrazolo[1,5-A]pyrimidine58347-49-2

Elsewhere

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