2-bromo-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C6H4BrN3O — CID 70908949

IUPAC2-bromo-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cccc2nc(Br)[nH]n12
InChIInChI=1S/C6H4BrN3O/c7-6-8-4-2-1-3-5(11)10(4)9-6/h1-3H,(H,8,9)
InChIKeyNDVRFHKDMPAUEX-UHFFFAOYSA-N
MW214.02 g/mol
LogP0.79
Rot. Bonds

About 2-bromo-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

2-bromo-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 70908949) has the molecular formula C6H4BrN3O and a molecular weight of 214.02 g/mol. Its IUPAC name is 2-bromo-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-bromo-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID70908949
Molecular FormulaC6H4BrN3O
Molecular Weight214.02 g/mol
Exact Mass212.95
IUPAC Name2-bromo-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cccc2nc(Br)[nH]n12
InChIInChI=1S/C6H4BrN3O/c7-6-8-4-2-1-3-5(11)10(4)9-6/h1-3H,(H,8,9)
InChIKeyNDVRFHKDMPAUEX-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

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Related Compounds

[1,2,4]Triazolo[1,5-a]pyridin-5-ol
CID 91608405
ethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 172614898
2-amino-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 105429402
3-bromo-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
CID 105467310
2-methyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117132938

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-bromo-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 70908949) is 2-bromo-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-bromo-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-bromo-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is O=c1cccc2nc(Br)[nH]n12.
What is the InChIKey of 2-bromo-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is NDVRFHKDMPAUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3O/c7-6-8-4-2-1-3-5(11)10(4)9-6/h1-3H,(H,8,9).
What are the key properties of 2-bromo-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-bromo-3H-[1,2,4]triazolo[1,5-a]pyridin-5-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 2-bromo-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 70908949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).