1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one

C7H7BrN4O2 — CID 168703642

IUPAC1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ncc(Br)nn1
InChIInChI=1S/C7H7BrN4O2/c8-5-2-9-7(11-10-5)12-3-4(13)1-6(12)14/h2,4,13H,1,3H2
InChIKeyLSFRUDIYMYZJIP-UHFFFAOYSA-N
MW259.06 g/mol
LogP-0.27
Rot. Bonds1

About 1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one

1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 168703642) has the molecular formula C7H7BrN4O2 and a molecular weight of 259.06 g/mol. Its IUPAC name is 1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one
PubChem CID168703642
Molecular FormulaC7H7BrN4O2
Molecular Weight259.06 g/mol
Exact Mass257.98
IUPAC Name1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ncc(Br)nn1
InChIInChI=1S/C7H7BrN4O2/c8-5-2-9-7(11-10-5)12-3-4(13)1-6(12)14/h2,4,13H,1,3H2
InChIKeyLSFRUDIYMYZJIP-UHFFFAOYSA-N
XLogP-0.27
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.06
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168703639
[1-(6-bromo-1,2,4-triazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677351
4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one
CID 168703641
1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168701935
1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703181
4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
CID 168702817
1-(5-bromo-3-fluoro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703201
1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one
CID 168704107
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168704050
1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703965
1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168704149
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one (CID 168703642) is 1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1ncc(Br)nn1.
What is the InChIKey of 1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is LSFRUDIYMYZJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4O2/c8-5-2-9-7(11-10-5)12-3-4(13)1-6(12)14/h2,4,13H,1,3H2.
What are the key properties of 1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one?
1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 259.06 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).