[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine

C11H13BrN4 — CID 116990055

IUPAC[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine
SMILESNCC1(c2nc3cc(Br)ccn3n2)CCC1
InChIInChI=1S/C11H13BrN4/c12-8-2-5-16-9(6-8)14-10(15-16)11(7-13)3-1-4-11/h2,5-6H,1,3-4,7,13H2
InChIKeyZUAMIJACXGMCAP-UHFFFAOYSA-N
MW281.16 g/mol
LogP1.87
Rot. Bonds2

About [1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine

[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine (PubChem CID 116990055) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is [1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine
PubChem CID116990055
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine
SMILESNCC1(c2nc3cc(Br)ccn3n2)CCC1
InChIInChI=1S/C11H13BrN4/c12-8-2-5-16-9(6-8)14-10(15-16)11(7-13)3-1-4-11/h2,5-6H,1,3-4,7,13H2
InChIKeyZUAMIJACXGMCAP-UHFFFAOYSA-N
XLogP1.87
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine (CID 116990055) is [1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine is NCC1(c2nc3cc(Br)ccn3n2)CCC1.
What is the InChIKey of [1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine?
The InChIKey is ZUAMIJACXGMCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c12-8-2-5-16-9(6-8)14-10(15-16)11(7-13)3-1-4-11/h2,5-6H,1,3-4,7,13H2.
What are the key properties of [1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine?
[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine has a molecular weight of 281.16 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine is sourced from PubChem (CID 116990055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).