6-bromo-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C11H8BrN5 — CID 118711841

IUPAC6-bromo-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESBrc1cc2c(Nc3ccncc3)ncnn2c1
InChIInChI=1S/C11H8BrN5/c12-8-5-10-11(14-7-15-17(10)6-8)16-9-1-3-13-4-2-9/h1-7H,(H,13,14,15,16)
InChIKeyRBZZCNGZQAMXTN-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.63
Rot. Bonds2

About 6-bromo-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

6-bromo-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 118711841) has the molecular formula C11H8BrN5 and a molecular weight of 290.12 g/mol. Its IUPAC name is 6-bromo-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-bromo-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID118711841
Molecular FormulaC11H8BrN5
Molecular Weight290.12 g/mol
Exact Mass289.00
IUPAC Name6-bromo-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESBrc1cc2c(Nc3ccncc3)ncnn2c1
InChIInChI=1S/C11H8BrN5/c12-8-5-10-11(14-7-15-17(10)6-8)16-9-1-3-13-4-2-9/h1-7H,(H,13,14,15,16)
InChIKeyRBZZCNGZQAMXTN-UHFFFAOYSA-N
XLogP2.63
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-bromo-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 118711841) is 6-bromo-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-bromo-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-bromo-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Brc1cc2c(Nc3ccncc3)ncnn2c1.
What is the InChIKey of 6-bromo-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is RBZZCNGZQAMXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5/c12-8-5-10-11(14-7-15-17(10)6-8)16-9-1-3-13-4-2-9/h1-7H,(H,13,14,15,16).
What are the key properties of 6-bromo-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-bromo-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 290.12 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 118711841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).