chempirical

3-(Chloromethyl)-1-methyl-1H-1,2,4-triazole hydrochloride

C4H7Cl2N3CAS 135206-76-7168.02 g/mol

Open in Covalent MOL file
NNNClHCl
Alkyl halide

Properties

Molecular formula
C4H7Cl2N3
Molar mass
168.02 g/mol
Exact mass
167.0017 Da
logP
0.98Crippen estimate
Polar surface area
30.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
135206-76-7
SMILES
CN1C=NC(=N1)CCl.Cl
InChIKey
KISIDCUHOLGEPR-UHFFFAOYSA-N
InChI
InChI=1S/C4H6ClN3.ClH/c1-8-3-6-4(2-5)7-8;/h3H,2H2,1H3;1H

Weigh it out

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Work with 3-(Chloromethyl)-1-methyl-1H-1,2,4-triazole hydrochloride

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

(1-Methyl-1H-1,2,4-triazol-3-yl)methanol135242-93-253 % similar 2-(Chloromethyl)pyrimidine hydrochloride936643-80-044 % similar 3-Bromo-1-methyl-1,2,4-triazole56616-91-239 % similar 3-(Chloromethyl)-1,2,4-oxadiazole51791-12-935 % similar Picolyl chloride hydrochloride6959-47-332 % similar 4-Picolyl chloride hydrochloride1822-51-131 % similar 3-(Chloromethyl)-1,5-dimethyl-1H-pyrazole180519-09-931 % similar Amino pyrazole dihydrochloride197367-87-631 % similar

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

Elsewhere

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