8-bromopyrido[1,2-a][1,3,5]triazin-4-one

C7H4BrN3O — CID 84690290

IUPAC8-bromopyrido[1,2-a][1,3,5]triazin-4-one
SMILESO=c1ncnc2cc(Br)ccn12
InChIInChI=1S/C7H4BrN3O/c8-5-1-2-11-6(3-5)9-4-10-7(11)12/h1-4H
InChIKeyCHJKMWFIZFXRSS-UHFFFAOYSA-N
MW226.03 g/mol
LogP0.85
Rot. Bonds

About 8-bromopyrido[1,2-a][1,3,5]triazin-4-one

8-bromopyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 84690290) has the molecular formula C7H4BrN3O and a molecular weight of 226.03 g/mol. Its IUPAC name is 8-bromopyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name8-bromopyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID84690290
Molecular FormulaC7H4BrN3O
Molecular Weight226.03 g/mol
Exact Mass224.95
IUPAC Name8-bromopyrido[1,2-a][1,3,5]triazin-4-one
SMILESO=c1ncnc2cc(Br)ccn12
InChIInChI=1S/C7H4BrN3O/c8-5-1-2-11-6(3-5)9-4-10-7(11)12/h1-4H
InChIKeyCHJKMWFIZFXRSS-UHFFFAOYSA-N
XLogP0.85
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one
CID 83898761
7-bromo-3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine
CID 117256499
8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 146050186
7-bromo-2,3-dimethylimidazo[1,2-a]pyridine;ethane
CID 143862133
7-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carbaldehyde
CID 170900003
lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 170633995
3-bromopyrido[1,2-a]benzimidazole
CID 132596716
3-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxamide
CID 82530178
7-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid
CID 166609430
5-bromo-2,8,13-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,4,6-tetraen-9-one
CID 58574752
7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 53393311
7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde
CID 83839573

Frequently Asked Questions

What is the IUPAC name of 8-bromopyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 8-bromopyrido[1,2-a][1,3,5]triazin-4-one (CID 84690290) is 8-bromopyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 8-bromopyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 8-bromopyrido[1,2-a][1,3,5]triazin-4-one is O=c1ncnc2cc(Br)ccn12.
What is the InChIKey of 8-bromopyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is CHJKMWFIZFXRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O/c8-5-1-2-11-6(3-5)9-4-10-7(11)12/h1-4H.
What are the key properties of 8-bromopyrido[1,2-a][1,3,5]triazin-4-one?
8-bromopyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 226.03 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromopyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 84690290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).