3-bromo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine

C6H8BrN3 — CID 84670419

IUPAC3-bromo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
SMILESBrc1nnn2c1CCCC2
InChIInChI=1S/C6H8BrN3/c7-6-5-3-1-2-4-10(5)9-8-6/h1-4H2
InChIKeyVCYBJKWLKBRWKO-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.38
Rot. Bonds

About 3-bromo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine

3-bromo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine (PubChem CID 84670419) has the molecular formula C6H8BrN3 and a molecular weight of 202.05 g/mol. Its IUPAC name is 3-bromo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-bromo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
PubChem CID84670419
Molecular FormulaC6H8BrN3
Molecular Weight202.05 g/mol
Exact Mass200.99
IUPAC Name3-bromo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
SMILESBrc1nnn2c1CCCC2
InChIInChI=1S/C6H8BrN3/c7-6-5-3-1-2-4-10(5)9-8-6/h1-4H2
InChIKeyVCYBJKWLKBRWKO-UHFFFAOYSA-N
XLogP1.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
The IUPAC name of 3-bromo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine (CID 84670419) is 3-bromo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine.
What is the SMILES notation for 3-bromo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
The canonical SMILES for 3-bromo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine is Brc1nnn2c1CCCC2.
What is the InChIKey of 3-bromo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
The InChIKey is VCYBJKWLKBRWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3/c7-6-5-3-1-2-4-10(5)9-8-6/h1-4H2.
What are the key properties of 3-bromo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
3-bromo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine has a molecular weight of 202.05 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine is sourced from PubChem (CID 84670419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).