4,5-dibromo-1-propyltriazole

C5H7Br2N3 — CID 69386726

IUPAC4,5-dibromo-1-propyltriazole
SMILESCCCn1nnc(Br)c1Br
InChIInChI=1S/C5H7Br2N3/c1-2-3-10-5(7)4(6)8-9-10/h2-3H2,1H3
InChIKeyFKMIYTAIDUYJBO-UHFFFAOYSA-N
MW268.94 g/mol
LogP2.21
Rot. Bonds2

About 4,5-dibromo-1-propyltriazole

4,5-dibromo-1-propyltriazole (PubChem CID 69386726) has the molecular formula C5H7Br2N3 and a molecular weight of 268.94 g/mol. Its IUPAC name is 4,5-dibromo-1-propyltriazole.

Molecular Properties

Compound Name4,5-dibromo-1-propyltriazole
PubChem CID69386726
Molecular FormulaC5H7Br2N3
Molecular Weight268.94 g/mol
Exact Mass266.90
IUPAC Name4,5-dibromo-1-propyltriazole
SMILESCCCn1nnc(Br)c1Br
InChIInChI=1S/C5H7Br2N3/c1-2-3-10-5(7)4(6)8-9-10/h2-3H2,1H3
InChIKeyFKMIYTAIDUYJBO-UHFFFAOYSA-N
XLogP2.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.94
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1-propyltriazole?
The IUPAC name of 4,5-dibromo-1-propyltriazole (CID 69386726) is 4,5-dibromo-1-propyltriazole.
What is the SMILES notation for 4,5-dibromo-1-propyltriazole?
The canonical SMILES for 4,5-dibromo-1-propyltriazole is CCCn1nnc(Br)c1Br.
What is the InChIKey of 4,5-dibromo-1-propyltriazole?
The InChIKey is FKMIYTAIDUYJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Br2N3/c1-2-3-10-5(7)4(6)8-9-10/h2-3H2,1H3.
What are the key properties of 4,5-dibromo-1-propyltriazole?
4,5-dibromo-1-propyltriazole has a molecular weight of 268.94 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1-propyltriazole is sourced from PubChem (CID 69386726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).