4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrrolidin-2-one

C10H10BrN5O — CID 106191948

IUPAC4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2nc3c(Br)cccn3n2)CN1
InChIInChI=1S/C10H10BrN5O/c11-7-2-1-3-16-9(7)14-10(15-16)13-6-4-8(17)12-5-6/h1-3,6H,4-5H2,(H,12,17)(H,13,15)
InChIKeyYOXLHWUJOAIRQN-UHFFFAOYSA-N
MW296.13 g/mol
LogP0.79
Rot. Bonds2

About 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrrolidin-2-one

4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrrolidin-2-one (PubChem CID 106191948) has the molecular formula C10H10BrN5O and a molecular weight of 296.13 g/mol. Its IUPAC name is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrrolidin-2-one
PubChem CID106191948
Molecular FormulaC10H10BrN5O
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC Name4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2nc3c(Br)cccn3n2)CN1
InChIInChI=1S/C10H10BrN5O/c11-7-2-1-3-16-9(7)14-10(15-16)13-6-4-8(17)12-5-6/h1-3,6H,4-5H2,(H,12,17)(H,13,15)
InChIKeyYOXLHWUJOAIRQN-UHFFFAOYSA-N
XLogP0.79
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrrolidin-2-one (CID 106191948) is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrrolidin-2-one is O=C1CC(Nc2nc3c(Br)cccn3n2)CN1.
What is the InChIKey of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrrolidin-2-one?
The InChIKey is YOXLHWUJOAIRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O/c11-7-2-1-3-16-9(7)14-10(15-16)13-6-4-8(17)12-5-6/h1-3,6H,4-5H2,(H,12,17)(H,13,15).
What are the key properties of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrrolidin-2-one?
4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrrolidin-2-one has a molecular weight of 296.13 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106191948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).