3,5-dibromo-1-propyl-1,2,4-triazole

C5H7Br2N3 — CID 75357833

IUPAC3,5-dibromo-1-propyl-1,2,4-triazole
SMILESCCCn1nc(Br)nc1Br
InChIInChI=1S/C5H7Br2N3/c1-2-3-10-5(7)8-4(6)9-10/h2-3H2,1H3
InChIKeyGAUPJKRMWAPFQY-UHFFFAOYSA-N
MW268.94 g/mol
LogP2.21
Rot. Bonds2

About 3,5-dibromo-1-propyl-1,2,4-triazole

3,5-dibromo-1-propyl-1,2,4-triazole (PubChem CID 75357833) has the molecular formula C5H7Br2N3 and a molecular weight of 268.94 g/mol. Its IUPAC name is 3,5-dibromo-1-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dibromo-1-propyl-1,2,4-triazole
PubChem CID75357833
Molecular FormulaC5H7Br2N3
Molecular Weight268.94 g/mol
Exact Mass266.90
IUPAC Name3,5-dibromo-1-propyl-1,2,4-triazole
SMILESCCCn1nc(Br)nc1Br
InChIInChI=1S/C5H7Br2N3/c1-2-3-10-5(7)8-4(6)9-10/h2-3H2,1H3
InChIKeyGAUPJKRMWAPFQY-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

Analyze 3,5-dibromo-1-propyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-propyl-1,2,4-triazole?
The IUPAC name of 3,5-dibromo-1-propyl-1,2,4-triazole (CID 75357833) is 3,5-dibromo-1-propyl-1,2,4-triazole.
What is the SMILES notation for 3,5-dibromo-1-propyl-1,2,4-triazole?
The canonical SMILES for 3,5-dibromo-1-propyl-1,2,4-triazole is CCCn1nc(Br)nc1Br.
What is the InChIKey of 3,5-dibromo-1-propyl-1,2,4-triazole?
The InChIKey is GAUPJKRMWAPFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Br2N3/c1-2-3-10-5(7)8-4(6)9-10/h2-3H2,1H3.
What are the key properties of 3,5-dibromo-1-propyl-1,2,4-triazole?
3,5-dibromo-1-propyl-1,2,4-triazole 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 3,5-dibromo-1-propyl-1,2,4-triazole is sourced from PubChem (CID 75357833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).