8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

C7H5BrN4O — CID 173094110

IUPAC8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESNC(=O)c1ccn2ncnc2c1Br
InChIInChI=1S/C7H5BrN4O/c8-5-4(6(9)13)1-2-12-7(5)10-3-11-12/h1-3H,(H2,9,13)
InChIKeyUGNLKENYTOGTSM-UHFFFAOYSA-N
MW241.05 g/mol
LogP0.59
Rot. Bonds1

About 8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 173094110) has the molecular formula C7H5BrN4O and a molecular weight of 241.05 g/mol. Its IUPAC name is 8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID173094110
Molecular FormulaC7H5BrN4O
Molecular Weight241.05 g/mol
Exact Mass239.96
IUPAC Name8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESNC(=O)c1ccn2ncnc2c1Br
InChIInChI=1S/C7H5BrN4O/c8-5-4(6(9)13)1-2-12-7(5)10-3-11-12/h1-3H,(H2,9,13)
InChIKeyUGNLKENYTOGTSM-UHFFFAOYSA-N
XLogP0.59
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.05
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (CID 173094110) is 8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is NC(=O)c1ccn2ncnc2c1Br.
What is the InChIKey of 8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is UGNLKENYTOGTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4O/c8-5-4(6(9)13)1-2-12-7(5)10-3-11-12/h1-3H,(H2,9,13).
What are the key properties of 8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 241.05 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 173094110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).