6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C6H4BrN3O — CID 12040798

IUPAC6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1[nH]nc2ccc(Br)cn12
InChIInChI=1S/C6H4BrN3O/c7-4-1-2-5-8-9-6(11)10(5)3-4/h1-3H,(H,9,11)
InChIKeyKZVFUYHFHBBPPD-UHFFFAOYSA-N
MW214.02 g/mol
LogP0.79
Rot. Bonds

About 6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 12040798) has the molecular formula C6H4BrN3O and a molecular weight of 214.02 g/mol. Its IUPAC name is 6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID12040798
Molecular FormulaC6H4BrN3O
Molecular Weight214.02 g/mol
Exact Mass212.95
IUPAC Name6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1[nH]nc2ccc(Br)cn12
InChIInChI=1S/C6H4BrN3O/c7-4-1-2-5-8-9-6(11)10(5)3-4/h1-3H,(H,9,11)
InChIKeyKZVFUYHFHBBPPD-UHFFFAOYSA-N
XLogP0.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.02
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one
CID 81431
1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one, 6-bromo-7-methyl-
CID 74888900
7-amino-2H,3H-(1,2,4)triazolo(4,3-a)pyridin-3-one
CID 130120575
6-Fluoro-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CID 55265957
8-Fluoro-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CID 55266276
Sodium 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one
CID 70507128
6-bromo-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CID 118417872
6-bromo-7-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 137525562
6-bromo-7-(difluoromethyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 137525605
7-bromo-6-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 137528102
6-Bromo-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 84103204
1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, sodium salt
CID 20449504

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 12040798) is 6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1[nH]nc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is KZVFUYHFHBBPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3O/c7-4-1-2-5-8-9-6(11)10(5)3-4/h1-3H,(H,9,11).
What are the key properties of 6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 214.02 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 12040798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).