4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine

C11H8BrN5 — CID 65347741

IUPAC4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine
SMILESNc1cnccc1-c1nnc2ccc(Br)cn12
InChIInChI=1S/C11H8BrN5/c12-7-1-2-10-15-16-11(17(10)6-7)8-3-4-14-5-9(8)13/h1-6H,13H2
InChIKeyAXOMNRKEAYGVRK-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.14
Rot. Bonds1

About 4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine

4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine (PubChem CID 65347741) has the molecular formula C11H8BrN5 and a molecular weight of 290.12 g/mol. Its IUPAC name is 4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine
PubChem CID65347741
Molecular FormulaC11H8BrN5
Molecular Weight290.12 g/mol
Exact Mass289.00
IUPAC Name4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine
SMILESNc1cnccc1-c1nnc2ccc(Br)cn12
InChIInChI=1S/C11H8BrN5/c12-7-1-2-10-15-16-11(17(10)6-7)8-3-4-14-5-9(8)13/h1-6H,13H2
InChIKeyAXOMNRKEAYGVRK-UHFFFAOYSA-N
XLogP2.14
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine?
The IUPAC name of 4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine (CID 65347741) is 4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine.
What is the SMILES notation for 4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine?
The canonical SMILES for 4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine is Nc1cnccc1-c1nnc2ccc(Br)cn12.
What is the InChIKey of 4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine?
The InChIKey is AXOMNRKEAYGVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5/c12-7-1-2-10-15-16-11(17(10)6-7)8-3-4-14-5-9(8)13/h1-6H,13H2.
What are the key properties of 4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine?
4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine has a molecular weight of 290.12 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine is sourced from PubChem (CID 65347741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).