2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C11H12BrN5O — CID 155213571

IUPAC2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESNc1nc2c(C(=O)NC3CCC3)cc(Br)cn2n1
InChIInChI=1S/C11H12BrN5O/c12-6-4-8(10(18)14-7-2-1-3-7)9-15-11(13)16-17(9)5-6/h4-5,7H,1-3H2,(H2,13,16)(H,14,18)
InChIKeyPEZUQUTVTAHBQY-UHFFFAOYSA-N
MW310.16 g/mol
LogP1.36
Rot. Bonds2

About 2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 155213571) has the molecular formula C11H12BrN5O and a molecular weight of 310.16 g/mol. Its IUPAC name is 2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID155213571
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESNc1nc2c(C(=O)NC3CCC3)cc(Br)cn2n1
InChIInChI=1S/C11H12BrN5O/c12-6-4-8(10(18)14-7-2-1-3-7)9-15-11(13)16-17(9)5-6/h4-5,7H,1-3H2,(H2,13,16)(H,14,18)
InChIKeyPEZUQUTVTAHBQY-UHFFFAOYSA-N
XLogP1.36
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 155213571) is 2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is Nc1nc2c(C(=O)NC3CCC3)cc(Br)cn2n1.
What is the InChIKey of 2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is PEZUQUTVTAHBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c12-6-4-8(10(18)14-7-2-1-3-7)9-15-11(13)16-17(9)5-6/h4-5,7H,1-3H2,(H2,13,16)(H,14,18).
What are the key properties of 2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 310.16 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 155213571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).