1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine

C8H13BrN4 — CID 51000288

IUPAC1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1nc(Br)nc1N1CCCCC1
InChIInChI=1S/C8H13BrN4/c1-12-8(10-7(9)11-12)13-5-3-2-4-6-13/h2-6H2,1H3
InChIKeyFRIUFJGMYVKXIT-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.57
Rot. Bonds1

About 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine

1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 51000288) has the molecular formula C8H13BrN4 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID51000288
Molecular FormulaC8H13BrN4
Molecular Weight245.12 g/mol
Exact Mass244.03
IUPAC Name1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1nc(Br)nc1N1CCCCC1
InChIInChI=1S/C8H13BrN4/c1-12-8(10-7(9)11-12)13-5-3-2-4-6-13/h2-6H2,1H3
InChIKeyFRIUFJGMYVKXIT-UHFFFAOYSA-N
XLogP1.57
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine 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 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine (CID 51000288) is 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine is Cn1nc(Br)nc1N1CCCCC1.
What is the InChIKey of 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is FRIUFJGMYVKXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4/c1-12-8(10-7(9)11-12)13-5-3-2-4-6-13/h2-6H2,1H3.
What are the key properties of 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine?
1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 245.12 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 51000288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).