7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine

C9H8BrN3 — CID 53393311

IUPAC7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccn2c(C3CC3)nnc2c1
InChIInChI=1S/C9H8BrN3/c10-7-3-4-13-8(5-7)11-12-9(13)6-1-2-6/h3-6H,1-2H2
InChIKeyPMRXJLKMSZYSDP-UHFFFAOYSA-N
MW238.09 g/mol
LogP2.37
Rot. Bonds1

About 7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine

7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 53393311) has the molecular formula C9H8BrN3 and a molecular weight of 238.09 g/mol. Its IUPAC name is 7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID53393311
Molecular FormulaC9H8BrN3
Molecular Weight238.09 g/mol
Exact Mass236.99
IUPAC Name7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccn2c(C3CC3)nnc2c1
InChIInChI=1S/C9H8BrN3/c10-7-3-4-13-8(5-7)11-12-9(13)6-1-2-6/h3-6H,1-2H2
InChIKeyPMRXJLKMSZYSDP-UHFFFAOYSA-N
XLogP2.37
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine (CID 53393311) is 7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine is Brc1ccn2c(C3CC3)nnc2c1.
What is the InChIKey of 7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PMRXJLKMSZYSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3/c10-7-3-4-13-8(5-7)11-12-9(13)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine?
7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 238.09 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 53393311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).