7-bromo-1-cyclopropyltriazolo[4,5-c]pyridine

C8H7BrN4 — CID 83681249

IUPAC7-bromo-1-cyclopropyltriazolo[4,5-c]pyridine
SMILESBrc1cncc2nnn(C3CC3)c12
InChIInChI=1S/C8H7BrN4/c9-6-3-10-4-7-8(6)13(12-11-7)5-1-2-5/h3-5H,1-2H2
InChIKeyIIGMVARAVFUINB-UHFFFAOYSA-N
MW239.08 g/mol
LogP1.92
Rot. Bonds1

About 7-bromo-1-cyclopropyltriazolo[4,5-c]pyridine

7-bromo-1-cyclopropyltriazolo[4,5-c]pyridine (PubChem CID 83681249) has the molecular formula C8H7BrN4 and a molecular weight of 239.08 g/mol. Its IUPAC name is 7-bromo-1-cyclopropyltriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name7-bromo-1-cyclopropyltriazolo[4,5-c]pyridine
PubChem CID83681249
Molecular FormulaC8H7BrN4
Molecular Weight239.08 g/mol
Exact Mass237.99
IUPAC Name7-bromo-1-cyclopropyltriazolo[4,5-c]pyridine
SMILESBrc1cncc2nnn(C3CC3)c12
InChIInChI=1S/C8H7BrN4/c9-6-3-10-4-7-8(6)13(12-11-7)5-1-2-5/h3-5H,1-2H2
InChIKeyIIGMVARAVFUINB-UHFFFAOYSA-N
XLogP1.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-cyclopropyltriazolo[4,5-c]pyridine?
The IUPAC name of 7-bromo-1-cyclopropyltriazolo[4,5-c]pyridine (CID 83681249) is 7-bromo-1-cyclopropyltriazolo[4,5-c]pyridine.
What is the SMILES notation for 7-bromo-1-cyclopropyltriazolo[4,5-c]pyridine?
The canonical SMILES for 7-bromo-1-cyclopropyltriazolo[4,5-c]pyridine is Brc1cncc2nnn(C3CC3)c12.
What is the InChIKey of 7-bromo-1-cyclopropyltriazolo[4,5-c]pyridine?
The InChIKey is IIGMVARAVFUINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4/c9-6-3-10-4-7-8(6)13(12-11-7)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 7-bromo-1-cyclopropyltriazolo[4,5-c]pyridine?
7-bromo-1-cyclopropyltriazolo[4,5-c]pyridine has a molecular weight of 239.08 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-cyclopropyltriazolo[4,5-c]pyridine is sourced from PubChem (CID 83681249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).