3,5,6-Trichloro-[1,2,4]triazine

C₃Cl₃N₃CAS 873-41-6184.40 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃Cl₃N₃
Molar mass: 184.40 g/mol
Exact mass: 182.9158 Da
logP: 1.83Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

873-41-6

SMILES

C1(=C(N=NC(=N1)Cl)Cl)Cl

InChIKey

YHKUFWFVZIIVDL-UHFFFAOYSA-N

InChI

InChI=1S/C3Cl3N3/c4-1-2(5)8-9-3(6)7-1

Weigh it out

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

Names and synonyms

1 names

3,5,6-Trichloro-1,2,4-triazine

Work with 3,5,6-Trichloro-[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

2,4,5,6-Tetrachloropyrimidine1780-40-148 % similar 2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine32980-71-548 % similar 3,6-Dichloro-1,2,4,5-tetrazine106131-61-747 % similar 2,4,6-Trichloro-5-methylpyrimidine1780-36-543 % similar 3,6-Dichloro-4,5-dimethylpyridazine34584-69-543 % similar 2,4,5-Trichloropyrimidine5750-76-540 % similar 2,3-Dichloroquinoxaline2213-63-039 % similar 1,4-Dichlorophthalazine4752-10-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Cyanuric chloride108-77-0

Elsewhere

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