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

C11H14FN5 — CID 107425745

IUPAC6-fluoro-N-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC1(Nc2nc3ccc(F)cn3n2)CCNC1
InChIInChI=1S/C11H14FN5/c1-11(4-5-13-7-11)15-10-14-9-3-2-8(12)6-17(9)16-10/h2-3,6,13H,4-5,7H2,1H3,(H,15,16)
InChIKeyXIKPGQWVULFHJG-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.03
Rot. Bonds2

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

6-fluoro-N-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 107425745) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 6-fluoro-N-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID107425745
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name6-fluoro-N-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC1(Nc2nc3ccc(F)cn3n2)CCNC1
InChIInChI=1S/C11H14FN5/c1-11(4-5-13-7-11)15-10-14-9-3-2-8(12)6-17(9)16-10/h2-3,6,13H,4-5,7H2,1H3,(H,15,16)
InChIKeyXIKPGQWVULFHJG-UHFFFAOYSA-N
XLogP1.03
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 107425745) is 6-fluoro-N-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC1(Nc2nc3ccc(F)cn3n2)CCNC1.
What is the InChIKey of 6-fluoro-N-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is XIKPGQWVULFHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-11(4-5-13-7-11)15-10-14-9-3-2-8(12)6-17(9)16-10/h2-3,6,13H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 6-fluoro-N-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-fluoro-N-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 235.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 107425745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).