6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C10H7BrN4S — CID 82489989

IUPAC6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESBrc1cccc(Cc2nn3cnnc3s2)c1
InChIInChI=1S/C10H7BrN4S/c11-8-3-1-2-7(4-8)5-9-14-15-6-12-13-10(15)16-9/h1-4,6H,5H2
InChIKeyZRYRNXBTKOYNSE-UHFFFAOYSA-N
MW295.17 g/mol
LogP2.54
Rot. Bonds2

About 6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 82489989) has the molecular formula C10H7BrN4S and a molecular weight of 295.17 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID82489989
Molecular FormulaC10H7BrN4S
Molecular Weight295.17 g/mol
Exact Mass293.96
IUPAC Name6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESBrc1cccc(Cc2nn3cnnc3s2)c1
InChIInChI=1S/C10H7BrN4S/c11-8-3-1-2-7(4-8)5-9-14-15-6-12-13-10(15)16-9/h1-4,6H,5H2
InChIKeyZRYRNXBTKOYNSE-UHFFFAOYSA-N
XLogP2.54
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-bromophenyl)methyl]-3-chloro-1,2,4-thiadiazole
CID 102943987
2-[(3-bromophenyl)methyl]-1,3-benzothiazol-6-amine
CID 66204024
3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole
CID 115393272
4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole
CID 79832407
2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole
CID 113415601
3-[(3-bromophenyl)methyl]pyridazine
CID 117106529
3-[(3-bromophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300974
[2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine
CID 114361104
2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride
CID 52983646
1-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]ethanol
CID 64543314
3-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 889614
[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054774

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 82489989) is 6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Brc1cccc(Cc2nn3cnnc3s2)c1.
What is the InChIKey of 6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is ZRYRNXBTKOYNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4S/c11-8-3-1-2-7(4-8)5-9-14-15-6-12-13-10(15)16-9/h1-4,6H,5H2.
What are the key properties of 6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 295.17 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 82489989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).