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

C6H5BrN4 — CID 79022567

IUPAC6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESNc1nnc2ccc(Br)cn12
InChIInChI=1S/C6H5BrN4/c7-4-1-2-5-9-10-6(8)11(5)3-4/h1-3H,(H2,8,10)
InChIKeyDWJVWLDIPJSPKM-UHFFFAOYSA-N
MW213.04 g/mol
LogP1.07
Rot. Bonds

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

6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 79022567) has the molecular formula C6H5BrN4 and a molecular weight of 213.04 g/mol. Its IUPAC name is 6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID79022567
Molecular FormulaC6H5BrN4
Molecular Weight213.04 g/mol
Exact Mass211.97
IUPAC Name6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESNc1nnc2ccc(Br)cn12
InChIInChI=1S/C6H5BrN4/c7-4-1-2-5-9-10-6(8)11(5)3-4/h1-3H,(H2,8,10)
InChIKeyDWJVWLDIPJSPKM-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 6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of 6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 79022567) is 6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine is Nc1nnc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is DWJVWLDIPJSPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4/c7-4-1-2-5-9-10-6(8)11(5)3-4/h1-3H,(H2,8,10).
What are the key properties of 6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
6-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 6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 79022567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).