3-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

C13H11BrN6 — CID 165435575

IUPAC3-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1cnc(N2CC(c3nnc4ccccn34)C2)nc1
InChIInChI=1S/C13H11BrN6/c14-10-5-15-13(16-6-10)19-7-9(8-19)12-18-17-11-3-1-2-4-20(11)12/h1-6,9H,7-8H2
InChIKeyDNMPYUGGSTXHMY-UHFFFAOYSA-N
MW331.18 g/mol
LogP1.89
Rot. Bonds2

About 3-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 165435575) has the molecular formula C13H11BrN6 and a molecular weight of 331.18 g/mol. Its IUPAC name is 3-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID165435575
Molecular FormulaC13H11BrN6
Molecular Weight331.18 g/mol
Exact Mass330.02
IUPAC Name3-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1cnc(N2CC(c3nnc4ccccn34)C2)nc1
InChIInChI=1S/C13H11BrN6/c14-10-5-15-13(16-6-10)19-7-9(8-19)12-18-17-11-3-1-2-4-20(11)12/h1-6,9H,7-8H2
InChIKeyDNMPYUGGSTXHMY-UHFFFAOYSA-N
XLogP1.89
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine 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-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 165435575) is 3-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is Brc1cnc(N2CC(c3nnc4ccccn34)C2)nc1.
What is the InChIKey of 3-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is DNMPYUGGSTXHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN6/c14-10-5-15-13(16-6-10)19-7-9(8-19)12-18-17-11-3-1-2-4-20(11)12/h1-6,9H,7-8H2.
What are the key properties of 3-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 331.18 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 165435575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).