8-bromopyrazolo[1,5-a][1,3,5]triazin-4-amine

C5H4BrN5 — CID 82394100

IUPAC8-bromopyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESNc1ncnc2c(Br)cnn12
InChIInChI=1S/C5H4BrN5/c6-3-1-10-11-4(3)8-2-9-5(11)7/h1-2H,(H2,7,8,9)
InChIKeyLDUYHKLQMVNPNJ-UHFFFAOYSA-N
MW214.03 g/mol
LogP0.47
Rot. Bonds

About 8-bromopyrazolo[1,5-a][1,3,5]triazin-4-amine

8-bromopyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 82394100) has the molecular formula C5H4BrN5 and a molecular weight of 214.03 g/mol. Its IUPAC name is 8-bromopyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-bromopyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID82394100
Molecular FormulaC5H4BrN5
Molecular Weight214.03 g/mol
Exact Mass212.97
IUPAC Name8-bromopyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESNc1ncnc2c(Br)cnn12
InChIInChI=1S/C5H4BrN5/c6-3-1-10-11-4(3)8-2-9-5(11)7/h1-2H,(H2,7,8,9)
InChIKeyLDUYHKLQMVNPNJ-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 8-bromopyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-bromopyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 82394100) is 8-bromopyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-bromopyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-bromopyrazolo[1,5-a][1,3,5]triazin-4-amine is Nc1ncnc2c(Br)cnn12.
What is the InChIKey of 8-bromopyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is LDUYHKLQMVNPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN5/c6-3-1-10-11-4(3)8-2-9-5(11)7/h1-2H,(H2,7,8,9).
What are the key properties of 8-bromopyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-bromopyrazolo[1,5-a][1,3,5]triazin-4-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 8-bromopyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 82394100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).