3-fluoro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine

C14H14FN5 — CID 86805468

IUPAC3-fluoro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine
SMILESFc1cccnc1NCCCc1nnc2ccccn12
InChIInChI=1S/C14H14FN5/c15-11-5-3-8-16-14(11)17-9-4-7-13-19-18-12-6-1-2-10-20(12)13/h1-3,5-6,8,10H,4,7,9H2,(H,16,17)
InChIKeyXBFYRIURAVMVFX-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.31
Rot. Bonds5

About 3-fluoro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine

3-fluoro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine (PubChem CID 86805468) has the molecular formula C14H14FN5 and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-fluoro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine
PubChem CID86805468
Molecular FormulaC14H14FN5
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name3-fluoro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine
SMILESFc1cccnc1NCCCc1nnc2ccccn12
InChIInChI=1S/C14H14FN5/c15-11-5-3-8-16-14(11)17-9-4-7-13-19-18-12-6-1-2-10-20(12)13/h1-3,5-6,8,10H,4,7,9H2,(H,16,17)
InChIKeyXBFYRIURAVMVFX-UHFFFAOYSA-N
XLogP2.31
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine?
The IUPAC name of 3-fluoro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine (CID 86805468) is 3-fluoro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine is Fc1cccnc1NCCCc1nnc2ccccn12.
What is the InChIKey of 3-fluoro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine?
The InChIKey is XBFYRIURAVMVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5/c15-11-5-3-8-16-14(11)17-9-4-7-13-19-18-12-6-1-2-10-20(12)13/h1-3,5-6,8,10H,4,7,9H2,(H,16,17).
What are the key properties of 3-fluoro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine?
3-fluoro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine has a molecular weight of 271.30 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 86805468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).