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

C9H11FN4 — CID 105447953

IUPAC3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
SMILESNCCCc1nnc2cccc(F)n12
InChIInChI=1S/C9H11FN4/c10-7-3-1-4-8-12-13-9(14(7)8)5-2-6-11/h1,3-4H,2,5-6,11H2
InChIKeyAGSVUCOEDRABPN-UHFFFAOYSA-N
MW194.21 g/mol
LogP0.76
Rot. Bonds3

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

3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine (PubChem CID 105447953) has the molecular formula C9H11FN4 and a molecular weight of 194.21 g/mol. Its IUPAC name is 3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
PubChem CID105447953
Molecular FormulaC9H11FN4
Molecular Weight194.21 g/mol
Exact Mass194.10
IUPAC Name3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
SMILESNCCCc1nnc2cccc(F)n12
InChIInChI=1S/C9H11FN4/c10-7-3-1-4-8-12-13-9(14(7)8)5-2-6-11/h1,3-4H,2,5-6,11H2
InChIKeyAGSVUCOEDRABPN-UHFFFAOYSA-N
XLogP0.76
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine?
The IUPAC name of 3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine (CID 105447953) is 3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine?
The canonical SMILES for 3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine is NCCCc1nnc2cccc(F)n12.
What is the InChIKey of 3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine?
The InChIKey is AGSVUCOEDRABPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4/c10-7-3-1-4-8-12-13-9(14(7)8)5-2-6-11/h1,3-4H,2,5-6,11H2.
What are the key properties of 3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine?
3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine has a molecular weight of 194.21 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine is sourced from PubChem (CID 105447953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).