7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C8H9BrN4 — CID 67775541

IUPAC7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCN(C)c1nc2cc(Br)ccn2n1
InChIInChI=1S/C8H9BrN4/c1-12(2)8-10-7-5-6(9)3-4-13(7)11-8/h3-5H,1-2H3
InChIKeyJATIVHGFJAULAI-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.56
Rot. Bonds1

About 7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 67775541) has the molecular formula C8H9BrN4 and a molecular weight of 241.09 g/mol. Its IUPAC name is 7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID67775541
Molecular FormulaC8H9BrN4
Molecular Weight241.09 g/mol
Exact Mass240.00
IUPAC Name7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCN(C)c1nc2cc(Br)ccn2n1
InChIInChI=1S/C8H9BrN4/c1-12(2)8-10-7-5-6(9)3-4-13(7)11-8/h3-5H,1-2H3
InChIKeyJATIVHGFJAULAI-UHFFFAOYSA-N
XLogP1.56
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 67775541) is 7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CN(C)c1nc2cc(Br)ccn2n1.
What is the InChIKey of 7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is JATIVHGFJAULAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4/c1-12(2)8-10-7-5-6(9)3-4-13(7)11-8/h3-5H,1-2H3.
What are the key properties of 7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 241.09 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 67775541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).