6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C5H4BrN5 — CID 83886225

IUPAC6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2ncc(Br)cn2n1
InChIInChI=1S/C5H4BrN5/c6-3-1-8-5-9-4(7)10-11(5)2-3/h1-2H,(H2,7,10)
InChIKeyCGAXQOVMGHKWMA-UHFFFAOYSA-N
MW214.03 g/mol
LogP0.47
Rot. Bonds

About 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 83886225) has the molecular formula C5H4BrN5 and a molecular weight of 214.03 g/mol. Its IUPAC name is 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID83886225
Molecular FormulaC5H4BrN5
Molecular Weight214.03 g/mol
Exact Mass212.97
IUPAC Name6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2ncc(Br)cn2n1
InChIInChI=1S/C5H4BrN5/c6-3-1-8-5-9-4(7)10-11(5)2-3/h1-2H,(H2,7,10)
InChIKeyCGAXQOVMGHKWMA-UHFFFAOYSA-N
XLogP0.47
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.03
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 83886225) is 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is CGAXQOVMGHKWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN5/c6-3-1-8-5-9-4(7)10-11(5)2-3/h1-2H,(H2,7,10).
What are the key properties of 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 214.03 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 83886225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).