5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine

C10H10BrN3 — CID 83900543

IUPAC5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1cccc2nnc(C3CCC3)n12
InChIInChI=1S/C10H10BrN3/c11-8-5-2-6-9-12-13-10(14(8)9)7-3-1-4-7/h2,5-7H,1,3-4H2
InChIKeyUNCKMKOFDPLGSB-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.76
Rot. Bonds1

About 5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine

5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 83900543) has the molecular formula C10H10BrN3 and a molecular weight of 252.11 g/mol. Its IUPAC name is 5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID83900543
Molecular FormulaC10H10BrN3
Molecular Weight252.11 g/mol
Exact Mass251.01
IUPAC Name5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1cccc2nnc(C3CCC3)n12
InChIInChI=1S/C10H10BrN3/c11-8-5-2-6-9-12-13-10(14(8)9)7-3-1-4-7/h2,5-7H,1,3-4H2
InChIKeyUNCKMKOFDPLGSB-UHFFFAOYSA-N
XLogP2.76
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117142344
3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117140658
2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine
CID 83866670
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 83686835
2-amino-2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanol
CID 83888161
5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743823
N-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine
CID 117256932
5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 81442348
3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117140421
3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141026
3-(oxetan-3-yl)-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 177167527
3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141546

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine (CID 83900543) is 5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine is Brc1cccc2nnc(C3CCC3)n12.
What is the InChIKey of 5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is UNCKMKOFDPLGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c11-8-5-2-6-9-12-13-10(14(8)9)7-3-1-4-7/h2,5-7H,1,3-4H2.
What are the key properties of 5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine?
5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 252.11 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 83900543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).