2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine

C10H12FN5 — CID 90383135

IUPAC2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine
SMILESNc1ccn2nc(N3CC[C@H](F)C3)nc2c1
InChIInChI=1S/C10H12FN5/c11-7-1-3-15(6-7)10-13-9-5-8(12)2-4-16(9)14-10/h2,4-5,7H,1,3,6,12H2/t7-/m0/s1
InChIKeyYNQZJDFRHVPHFB-ZETCQYMHSA-N
MW221.24 g/mol
LogP0.86
Rot. Bonds1

About 2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine

2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine (PubChem CID 90383135) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine
PubChem CID90383135
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine
SMILESNc1ccn2nc(N3CC[C@H](F)C3)nc2c1
InChIInChI=1S/C10H12FN5/c11-7-1-3-15(6-7)10-13-9-5-8(12)2-4-16(9)14-10/h2,4-5,7H,1,3,6,12H2/t7-/m0/s1
InChIKeyYNQZJDFRHVPHFB-ZETCQYMHSA-N
XLogP0.86
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine (CID 90383135) is 2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine is Nc1ccn2nc(N3CC[C@H](F)C3)nc2c1.
What is the InChIKey of 2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The InChIKey is YNQZJDFRHVPHFB-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12FN5/c11-7-1-3-15(6-7)10-13-9-5-8(12)2-4-16(9)14-10/h2,4-5,7H,1,3,6,12H2/t7-/m0/s1.
What are the key properties of 2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine has a molecular weight of 221.24 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 90383135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).