3-(4-Chlorobenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

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Systematic / IUPAC Name: 3-[(4-Chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-ol

ID: Reference7004

Other Names: 3-(4-Chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol;
3-[(4-Chlorophenyl)methyl]-1,2,3-triazolo[5,4-d]pyrimidin-7-ol;
3-[(4-Chlorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one;
Chlorobenzyltriazolodpyrimidinol

Formula: C11H8ClN5O

Spectral Data

3-(4-Chlorobenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 275
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/20/2017 2:27:52 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C11H8ClN5O/c12-8-3-1-7(2-4-8)5-17-10-9(15-16-17)11(18)14-6-13-10/h1-4,6H,5H2,(H,13,14,18)
InChI Key MMKXSLFUSPXJDM-UHFFFAOYSA-N
Canonical SMILES c1cc(ccc1Cn2c3c(c(ncn3)O)nn2)Cl
CAS
Splash
Other Names 3-(4-Chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol;
3-[(4-Chlorophenyl)methyl]-1,2,3-triazolo[5,4-d]pyrimidin-7-ol;
3-[(4-Chlorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one;
Chlorobenzyltriazolodpyrimidinol

In Other Databases

PubChem 6409919
ChemSpider 17924046