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

C7H6BrN3O — CID 90376481

IUPAC6-bromo-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1c(Br)ccc2n[nH]c(=O)n12
InChIInChI=1S/C7H6BrN3O/c1-4-5(8)2-3-6-9-10-7(12)11(4)6/h2-3H,1H3,(H,10,12)
InChIKeyFCBUUCKGGJDVLV-UHFFFAOYSA-N
MW228.05 g/mol
LogP1.09
Rot. Bonds

About 6-bromo-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-bromo-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 90376481) has the molecular formula C7H6BrN3O and a molecular weight of 228.05 g/mol. Its IUPAC name is 6-bromo-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-bromo-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID90376481
Molecular FormulaC7H6BrN3O
Molecular Weight228.05 g/mol
Exact Mass226.97
IUPAC Name6-bromo-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1c(Br)ccc2n[nH]c(=O)n12
InChIInChI=1S/C7H6BrN3O/c1-4-5(8)2-3-6-9-10-7(12)11(4)6/h2-3H,1H3,(H,10,12)
InChIKeyFCBUUCKGGJDVLV-UHFFFAOYSA-N
XLogP1.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-bromo-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 90376481) is 6-bromo-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-bromo-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-bromo-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1c(Br)ccc2n[nH]c(=O)n12.
What is the InChIKey of 6-bromo-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is FCBUUCKGGJDVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O/c1-4-5(8)2-3-6-9-10-7(12)11(4)6/h2-3H,1H3,(H,10,12).
What are the key properties of 6-bromo-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-bromo-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 228.05 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 90376481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).