7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C6H5BrN4 — CID 53393273

IUPAC7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESNc1nnc2cc(Br)ccn12
InChIInChI=1S/C6H5BrN4/c7-4-1-2-11-5(3-4)9-10-6(11)8/h1-3H,(H2,8,10)
InChIKeyGYEQRUXVOAJWNY-UHFFFAOYSA-N
MW213.04 g/mol
LogP1.07
Rot. Bonds

About 7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine

7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 53393273) has the molecular formula C6H5BrN4 and a molecular weight of 213.04 g/mol. Its IUPAC name is 7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound Name7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID53393273
Molecular FormulaC6H5BrN4
Molecular Weight213.04 g/mol
Exact Mass211.97
IUPAC Name7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESNc1nnc2cc(Br)ccn12
InChIInChI=1S/C6H5BrN4/c7-4-1-2-11-5(3-4)9-10-6(11)8/h1-3H,(H2,8,10)
InChIKeyGYEQRUXVOAJWNY-UHFFFAOYSA-N
XLogP1.07
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of 7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 53393273) is 7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for 7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for 7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine is Nc1nnc2cc(Br)ccn12.
What is the InChIKey of 7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is GYEQRUXVOAJWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4/c7-4-1-2-11-5(3-4)9-10-6(11)8/h1-3H,(H2,8,10).
What are the key properties of 7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 213.04 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 53393273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).