3-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,2,5-thiadiazole

C5H3Br2N5S — CID 164659836

IUPAC3-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,2,5-thiadiazole
SMILESBrc1nc(Br)n(Cc2cnsn2)n1
InChIInChI=1S/C5H3Br2N5S/c6-4-9-5(7)12(10-4)2-3-1-8-13-11-3/h1H,2H2
InChIKeyQYYNPXIDPZVIPR-UHFFFAOYSA-N
MW324.99 g/mol
LogP1.70
Rot. Bonds2

About 3-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,2,5-thiadiazole

3-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,2,5-thiadiazole (PubChem CID 164659836) has the molecular formula C5H3Br2N5S and a molecular weight of 324.99 g/mol. Its IUPAC name is 3-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,2,5-thiadiazole
PubChem CID164659836
Molecular FormulaC5H3Br2N5S
Molecular Weight324.99 g/mol
Exact Mass322.85
IUPAC Name3-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,2,5-thiadiazole
SMILESBrc1nc(Br)n(Cc2cnsn2)n1
InChIInChI=1S/C5H3Br2N5S/c6-4-9-5(7)12(10-4)2-3-1-8-13-11-3/h1H,2H2
InChIKeyQYYNPXIDPZVIPR-UHFFFAOYSA-N
XLogP1.70
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.99
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,2,5-thiadiazole?
The IUPAC name of 3-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,2,5-thiadiazole (CID 164659836) is 3-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,2,5-thiadiazole?
The canonical SMILES for 3-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,2,5-thiadiazole is Brc1nc(Br)n(Cc2cnsn2)n1.
What is the InChIKey of 3-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,2,5-thiadiazole?
The InChIKey is QYYNPXIDPZVIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br2N5S/c6-4-9-5(7)12(10-4)2-3-1-8-13-11-3/h1H,2H2.
What are the key properties of 3-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,2,5-thiadiazole?
3-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,2,5-thiadiazole has a molecular weight of 324.99 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,2,5-thiadiazole is sourced from PubChem (CID 164659836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).