7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine

C11H6BrClN4S — CID 102919271

IUPAC7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cc(Sc2ccccc2Br)n2ncnc2n1
InChIInChI=1S/C11H6BrClN4S/c12-7-3-1-2-4-8(7)18-10-5-9(13)16-11-14-6-15-17(10)11/h1-6H
InChIKeyGLWKRZXAXSIDNI-UHFFFAOYSA-N
MW341.62 g/mol
LogP3.69
Rot. Bonds2

About 7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 102919271) has the molecular formula C11H6BrClN4S and a molecular weight of 341.62 g/mol. Its IUPAC name is 7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID102919271
Molecular FormulaC11H6BrClN4S
Molecular Weight341.62 g/mol
Exact Mass339.92
IUPAC Name7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cc(Sc2ccccc2Br)n2ncnc2n1
InChIInChI=1S/C11H6BrClN4S/c12-7-3-1-2-4-8(7)18-10-5-9(13)16-11-14-6-15-17(10)11/h1-6H
InChIKeyGLWKRZXAXSIDNI-UHFFFAOYSA-N
XLogP3.69
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.62
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-7-(2,3-dihydro-1H-inden-5-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919304
5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 107751248
2-(2-bromophenyl)-5-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,3,4-oxadiazole
CID 86921035
5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918736
7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 18191294
4-methyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
CID 46320785
1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene
CID 177169783
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 136747745
5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919256
3-(N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)anilino)propanenitrile
CID 102918258
ethyl 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
CID 14850356
5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918512

Frequently Asked Questions

What is the IUPAC name of 7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 102919271) is 7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1cc(Sc2ccccc2Br)n2ncnc2n1.
What is the InChIKey of 7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GLWKRZXAXSIDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN4S/c12-7-3-1-2-4-8(7)18-10-5-9(13)16-11-14-6-15-17(10)11/h1-6H.
What are the key properties of 7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 341.62 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 102919271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).