5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine

C11H15FN4 — CID 82058709

IUPAC5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine
SMILESNCCCCCc1nnc2ccc(F)cn12
InChIInChI=1S/C11H15FN4/c12-9-5-6-11-15-14-10(16(11)8-9)4-2-1-3-7-13/h5-6,8H,1-4,7,13H2
InChIKeyNCAPALPHQTVNTE-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.54
Rot. Bonds5

About 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine

5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine (PubChem CID 82058709) has the molecular formula C11H15FN4 and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine
PubChem CID82058709
Molecular FormulaC11H15FN4
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC Name5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine
SMILESNCCCCCc1nnc2ccc(F)cn12
InChIInChI=1S/C11H15FN4/c12-9-5-6-11-15-14-10(16(11)8-9)4-2-1-3-7-13/h5-6,8H,1-4,7,13H2
InChIKeyNCAPALPHQTVNTE-UHFFFAOYSA-N
XLogP1.54
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride
CID 56723920
2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde
CID 166537867
3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
CID 137354654
2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 82058702
2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
CID 105448678
tert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate
CID 129299700
6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine
CID 43479092
6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 105429663
5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine
CID 62043687
3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 105447953
5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine
CID 82166818
6-(4-fluorophenyl)hexan-1-amine
CID 18470415

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine?
The IUPAC name of 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine (CID 82058709) is 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine.
What is the SMILES notation for 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine?
The canonical SMILES for 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine is NCCCCCc1nnc2ccc(F)cn12.
What is the InChIKey of 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine?
The InChIKey is NCAPALPHQTVNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4/c12-9-5-6-11-15-14-10(16(11)8-9)4-2-1-3-7-13/h5-6,8H,1-4,7,13H2.
What are the key properties of 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine?
5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine has a molecular weight of 222.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine is sourced from PubChem (CID 82058709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).