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

Related Compounds

(1-cyclopentyl-1,2,4-triazol-3-yl)methanamine
CID 62952024
1-cycloheptyl-1,2,4-triazole-3-carbonitrile
CID 82924529
3-bromo-1-cyclopentyl-4-methylpyrazole
CID 130138859
4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole
CID 72698457
1-cycloheptylimidazole-4,5-dicarbonitrile
CID 112595680
2-cyclohexyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135997554
3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine
CID 130328976
1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride
CID 156589572
5-bromo-1-cyclohexyl-3-methylpyrazole
CID 82386636
1-cyclopentyl-3-propan-2-ylpyrazole
CID 66014136
1-cyclopentylpyrazole
CID 10844435
1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
CID 64785473

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).