3-(azepan-1-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine

C12H15FN4 — CID 86687077

IUPAC3-(azepan-1-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc2nnc(N3CCCCCC3)n2c1
InChIInChI=1S/C12H15FN4/c13-10-5-6-11-14-15-12(17(11)9-10)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8H2
InChIKeyGGAVFPKQYPKMMO-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.25
Rot. Bonds1

About 3-(azepan-1-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine

3-(azepan-1-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 86687077) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-(azepan-1-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(azepan-1-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID86687077
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name3-(azepan-1-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc2nnc(N3CCCCCC3)n2c1
InChIInChI=1S/C12H15FN4/c13-10-5-6-11-14-15-12(17(11)9-10)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8H2
InChIKeyGGAVFPKQYPKMMO-UHFFFAOYSA-N
XLogP2.25
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(azepan-1-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine (CID 86687077) is 3-(azepan-1-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(azepan-1-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(azepan-1-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine is Fc1ccc2nnc(N3CCCCCC3)n2c1.
What is the InChIKey of 3-(azepan-1-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GGAVFPKQYPKMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c13-10-5-6-11-14-15-12(17(11)9-10)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8H2.
What are the key properties of 3-(azepan-1-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine?
3-(azepan-1-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 234.28 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 86687077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).