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

C10H9BrN4O2 — CID 168704149

IUPAC1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1nc2cccc(Br)n2n1
InChIInChI=1S/C10H9BrN4O2/c11-7-2-1-3-8-12-10(13-15(7)8)14-5-6(16)4-9(14)17/h1-3,6,16H,4-5H2
InChIKeyAFHPQQVBKFSBHN-UHFFFAOYSA-N
MW297.11 g/mol
LogP0.59
Rot. Bonds1

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

1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 168704149) has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-hydroxypyrrolidin-2-one
PubChem CID168704149
Molecular FormulaC10H9BrN4O2
Molecular Weight297.11 g/mol
Exact Mass295.99
IUPAC Name1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1nc2cccc(Br)n2n1
InChIInChI=1S/C10H9BrN4O2/c11-7-2-1-3-8-12-10(13-15(7)8)14-5-6(16)4-9(14)17/h1-3,6,16H,4-5H2
InChIKeyAFHPQQVBKFSBHN-UHFFFAOYSA-N
XLogP0.59
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one
CID 168690046
1-[4-(3-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one
CID 168704108
1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168702645
1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one
CID 168703642
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168704050
1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one
CID 168704107
1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
CID 168702702
1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703965
1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168703639
4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
CID 168702817
4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one
CID 168701889
2-bromo-6-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703891

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-hydroxypyrrolidin-2-one (CID 168704149) is 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1nc2cccc(Br)n2n1.
What is the InChIKey of 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is AFHPQQVBKFSBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2/c11-7-2-1-3-8-12-10(13-15(7)8)14-5-6(16)4-9(14)17/h1-3,6,16H,4-5H2.
What are the key properties of 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-hydroxypyrrolidin-2-one?
1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 297.11 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168704149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).