6-fluoro-2-(1H-indol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C15H12FN5 — CID 83965126

IUPAC6-fluoro-2-(1H-indol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESNc1cc(F)cn2nc(Cc3c[nH]c4ccccc34)nc12
InChIInChI=1S/C15H12FN5/c16-10-6-12(17)15-19-14(20-21(15)8-10)5-9-7-18-13-4-2-1-3-11(9)13/h1-4,6-8,18H,5,17H2
InChIKeyYWSGCTOIBMKRGJ-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.52
Rot. Bonds2

About 6-fluoro-2-(1H-indol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine

6-fluoro-2-(1H-indol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 83965126) has the molecular formula C15H12FN5 and a molecular weight of 281.29 g/mol. Its IUPAC name is 6-fluoro-2-(1H-indol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name6-fluoro-2-(1H-indol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID83965126
Molecular FormulaC15H12FN5
Molecular Weight281.29 g/mol
Exact Mass281.11
IUPAC Name6-fluoro-2-(1H-indol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESNc1cc(F)cn2nc(Cc3c[nH]c4ccccc34)nc12
InChIInChI=1S/C15H12FN5/c16-10-6-12(17)15-19-14(20-21(15)8-10)5-9-7-18-13-4-2-1-3-11(9)13/h1-4,6-8,18H,5,17H2
InChIKeyYWSGCTOIBMKRGJ-UHFFFAOYSA-N
XLogP2.52
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(1H-indol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 6-fluoro-2-(1H-indol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 83965126) is 6-fluoro-2-(1H-indol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 6-fluoro-2-(1H-indol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 6-fluoro-2-(1H-indol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine is Nc1cc(F)cn2nc(Cc3c[nH]c4ccccc34)nc12.
What is the InChIKey of 6-fluoro-2-(1H-indol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is YWSGCTOIBMKRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5/c16-10-6-12(17)15-19-14(20-21(15)8-10)5-9-7-18-13-4-2-1-3-11(9)13/h1-4,6-8,18H,5,17H2.
What are the key properties of 6-fluoro-2-(1H-indol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
6-fluoro-2-(1H-indol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 281.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1H-indol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 83965126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).