3-bromo-1-cyclopentyl-1,2,4-triazole

C7H10BrN3 — CID 119053455

IUPAC3-bromo-1-cyclopentyl-1,2,4-triazole
SMILESBrc1ncn(C2CCCC2)n1
InChIInChI=1S/C7H10BrN3/c8-7-9-5-11(10-7)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyKWKCEZTZWRAIAN-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.16
Rot. Bonds1

About 3-bromo-1-cyclopentyl-1,2,4-triazole

3-bromo-1-cyclopentyl-1,2,4-triazole (PubChem CID 119053455) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is 3-bromo-1-cyclopentyl-1,2,4-triazole.

Molecular Properties

Compound Name3-bromo-1-cyclopentyl-1,2,4-triazole
PubChem CID119053455
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC Name3-bromo-1-cyclopentyl-1,2,4-triazole
SMILESBrc1ncn(C2CCCC2)n1
InChIInChI=1S/C7H10BrN3/c8-7-9-5-11(10-7)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyKWKCEZTZWRAIAN-UHFFFAOYSA-N
XLogP2.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-1-cyclopentyl-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-bromo-1-cyclopentyl-1,2,4-triazole?
The IUPAC name of 3-bromo-1-cyclopentyl-1,2,4-triazole (CID 119053455) is 3-bromo-1-cyclopentyl-1,2,4-triazole.
What is the SMILES notation for 3-bromo-1-cyclopentyl-1,2,4-triazole?
The canonical SMILES for 3-bromo-1-cyclopentyl-1,2,4-triazole is Brc1ncn(C2CCCC2)n1.
What is the InChIKey of 3-bromo-1-cyclopentyl-1,2,4-triazole?
The InChIKey is KWKCEZTZWRAIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3/c8-7-9-5-11(10-7)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 3-bromo-1-cyclopentyl-1,2,4-triazole?
3-bromo-1-cyclopentyl-1,2,4-triazole has a molecular weight of 216.08 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-cyclopentyl-1,2,4-triazole is sourced from PubChem (CID 119053455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).