3-bromo-4,5-dicyclopropyl-1,2,4-triazole

C8H10BrN3 — CID 125424465

IUPAC3-bromo-4,5-dicyclopropyl-1,2,4-triazole
SMILESBrc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C8H10BrN3/c9-8-11-10-7(5-1-2-5)12(8)6-3-4-6/h5-6H,1-4H2
InChIKeyIRLLRDFCURSIPY-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.25
Rot. Bonds2

About 3-bromo-4,5-dicyclopropyl-1,2,4-triazole

3-bromo-4,5-dicyclopropyl-1,2,4-triazole (PubChem CID 125424465) has the molecular formula C8H10BrN3 and a molecular weight of 228.09 g/mol. Its IUPAC name is 3-bromo-4,5-dicyclopropyl-1,2,4-triazole.

Molecular Properties

Compound Name3-bromo-4,5-dicyclopropyl-1,2,4-triazole
PubChem CID125424465
Molecular FormulaC8H10BrN3
Molecular Weight228.09 g/mol
Exact Mass227.01
IUPAC Name3-bromo-4,5-dicyclopropyl-1,2,4-triazole
SMILESBrc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C8H10BrN3/c9-8-11-10-7(5-1-2-5)12(8)6-3-4-6/h5-6H,1-4H2
InChIKeyIRLLRDFCURSIPY-UHFFFAOYSA-N
XLogP2.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,5-dicyclopropyl-1,2,4-triazole?
The IUPAC name of 3-bromo-4,5-dicyclopropyl-1,2,4-triazole (CID 125424465) is 3-bromo-4,5-dicyclopropyl-1,2,4-triazole.
What is the SMILES notation for 3-bromo-4,5-dicyclopropyl-1,2,4-triazole?
The canonical SMILES for 3-bromo-4,5-dicyclopropyl-1,2,4-triazole is Brc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of 3-bromo-4,5-dicyclopropyl-1,2,4-triazole?
The InChIKey is IRLLRDFCURSIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3/c9-8-11-10-7(5-1-2-5)12(8)6-3-4-6/h5-6H,1-4H2.
What are the key properties of 3-bromo-4,5-dicyclopropyl-1,2,4-triazole?
3-bromo-4,5-dicyclopropyl-1,2,4-triazole has a molecular weight of 228.09 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,5-dicyclopropyl-1,2,4-triazole is sourced from PubChem (CID 125424465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).